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N-phenylthioureas

Description:

Compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
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  1. (5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
    IUPAC Name:  (5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
    SMILES:  O=C1NC(=S)N(C(=O)/C/1=C\c1cccs1)c1ccccc1F
    InChIKey: MKKQUOFAFVQDCS-NTMALXAHSA-N
    InChI:  InChI=1S/C15H9FN2O2S2/c16-11-5-1-2-6-12(11)18-14(20)10(13(19)17-15(18)21)8-9-4-3-7-22-9/h1-8H,(H,17,19,21)/b10-8-
  2. (5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
    IUPAC Name:  (5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
    SMILES:  Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(s2)C)/C1=O
    InChIKey: KXFOCXRVKPGLHA-MDWZMJQESA-N
    InChI:  InChI=1S/C16H11FN2O2S2/c1-9-2-7-12(23-9)8-13-14(20)18-16(22)19(15(13)21)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,20,22)/b13-8+
  3. [4-Bromo-2-(trifluoromethyl)phenyl]thiourea
      Grade & Purity: 
    • ≥97%
    Cas Number: 208186-71-4
    Formula:  C8H6BrF3N2S        Molecular Weight: 299.11
    IUPAC Name:  [4-bromo-2-(trifluoromethyl)phenyl]thiourea
    SMILES:  C1=CC(=C(C=C1Br)C(F)(F)F)NC(=S)N
    InChIKey: HXTGSKARZANHPM-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H6BrF3N2S/c9-4-1-2-6(14-7(13)15)5(3-4)8(10,11)12/h1-3H,(H3,13,14,15)
    Synonyms: 4-Bromo-2-(trifluoromethyl)phenylthiourea | AKOS005150925 | DTXSID10382521 | [4-Bromo-2-(trifluoromethyl)phenyl]thiou...
  4. 1-Isopropyl-3-phenylthiourea
      Grade & Purity: 
    • ≥97%
    Cas Number: 15093-36-4
    Formula:  C10H14N2S        Molecular Weight: 194.30
    IUPAC Name:  1-phenyl-3-propan-2-ylthiourea
    SMILES:  CC(C)NC(=S)NC1=CC=CC=C1
    InChIKey: LFBMRUOVWMEFFZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H14N2S/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
    Synonyms: N-Isopropyl-N'-phenylthiourea # | N-Isopropyl-N'-phenylthiourea | 1-iso-propyl-3-phenyl-2-thiourea | 1-Isopropyl-3-ph...
  5. 1-(4-(Trifluoromethoxy)phenyl)thiourea
      Grade & Purity: 
    • ≥98%
    Cas Number: 142229-74-1        Compound CID:  2777352
    Formula:  C8H7F3N2OS        Molecular Weight: 236.21
    IUPAC Name:  [4-(trifluoromethoxy)phenyl]thiourea
    SMILES:  C1=CC(=CC=C1NC(=S)N)OC(F)(F)F
    InChIKey: UCOXNOVULREFCO-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)
    Synonyms: FT-0607144 | PS-7645 | EN300-28854 | 1-[4-(trifluoromethoxy)phenyl]-2-thiourea | N-[4-(Trifluoromethoxy)phenyl]thiour...
  6. (3,5-Dimethylphenyl)thiourea
      Grade & Purity: 
    • ≥97%
    Cas Number: 97480-60-9
    Formula:  C9H12N2S        Molecular Weight: 180.27
    IUPAC Name:  (3,5-dimethylphenyl)thiourea
    SMILES:  CC1=CC(=CC(=C1)NC(=S)N)C
    InChIKey: XOAYHDJRYDSPJZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
    Synonyms: EN300-06796 | N-(3,5-dimethylphenyl) thiourea | Thiourea,N-(3,5-dimethylphenyl)- | HMS2566B13 | MFCD00041173 | FT-061...
  7. FPH2 (BRD-9424)
      Grade & Purity: 
    • ≥98%
    Cas Number: 957485-64-2
    Formula:  C14H16ClN5O2S        Molecular Weight: 353.83
    IUPAC Name:  4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide
    SMILES:  CCN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC
    InChIKey: PCHRYHSDDPPZBV-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H16ClN5O2S/c1-3-20-7-10(12(19-20)13(16)21)18-14(23)17-9-6-8(15)4-5-11(9)22-2/h4-7H,3H2,1-2H3,(H2,16,21)(H2,17,18,23)
    Synonyms: BRD-9424 | FPH2
  8. Pamufetinib (TAS-115)
    Cas Number: 1190836-34-0(DMSO)        Compound CID:  44247727
    Formula:  C27H23FN4O4S        Molecular Weight: 518.56
    IUPAC Name:  4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
    SMILES:  CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F
    InChIKey: ORRNXRYWGDUDOG-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H23FN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,show more
    Synonyms: TAS115 | TAS-115 | GTPL10460 | N-Propyl acetate LBG-64752 | pamufetinib | 6-Quinolinecarboxamide, 4-(2-fluoro-4-((((2...
  9. WAY-301187
      Grade & Purity: 
    • ≥98%
    Cas Number: 457-82-9        Compound CID:  773605
    Formula:  C10H8FN3S2        Molecular Weight: 253.32
    IUPAC Name:  1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea
    SMILES:  C1=CC(=CC=C1NC(=S)NC2=NC=CS2)F
    InChIKey: ZFAMDCCGNXBKRF-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H8FN3S2/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-6H,(H2,12,13,14,15)
    Synonyms: 1-(4-fluorophenyl)-3-(2-thiazolyl)thiourea | 1-(4-Fluorophenyl)-3-(thiazol-2-yl)thiourea | AKOS000531327 | BDBM49862 ...
  10. WAY-381665
      Grade & Purity: 
    • ≥98%
    Cas Number: 379723-99-6        Compound CID:  3268787
    Formula:  C21H17ClFN3O3S2        Molecular Weight: 477.96
    IUPAC Name:  N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]carbamothioyl]-4-fluorobenzamide
    SMILES:  CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC(=CC=C3)Cl
    InChIKey: NCOKQDHZCJTXLX-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H17ClFN3O3S2/c1-13-5-10-17(24-21(30)25-20(27)14-6-8-16(23)9-7-14)12-19(13)31(28,29)26-18-4-2-3-15(22)11-18/h2-12,26H,1H3,(H2,24,25,27,30)
  11. WAY-381644
      Grade & Purity: 
    • ≥98%
    Cas Number: 379713-58-3        Compound CID:  4294204
    Formula:  C21H17ClFN3O3S2        Molecular Weight: 477.96
    IUPAC Name:  N-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]carbamothioyl]-4-fluorobenzamide
    SMILES:  CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC=CC=C3Cl
    InChIKey: HQPUGRYKEOIIOE-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H17ClFN3O3S2/c1-13-6-11-16(24-21(30)25-20(27)14-7-9-15(23)10-8-14)12-19(13)31(28,29)26-18-5-3-2-4-17(18)22/h2-12,26H,1H3,(H2,24,25,27,30)
    Synonyms: N-((3-(N-(2-Chlorophenyl)Sulfamoyl)-4-Methylphenyl)Carbamothioyl)-4-Fluorobenzamide
  12. 1-(3-(trifluoromethyl)phenyl)thiourea
      Grade & Purity: 
    • ≥95%
    Cas Number: 1736-70-5        Compound CID:  735844
    Formula:  C8H7F3N2S        Molecular Weight: 220.21
    IUPAC Name:  [3-(trifluoromethyl)phenyl]thiourea
    SMILES:  C1=CC(=CC(=C1)NC(=S)N)C(F)(F)F
    InChIKey: WKRUQAYFMKZMPJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7F3N2S/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
    Synonyms: 1736-70-5|3-(Trifluoromethyl)phenylthiourea|1-(3-(Trifluoromethyl)phenyl)thiourea|[3-(Trifluoromethyl)phenyl]thiourea...
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