URS

N-PHENYLTHIOUREA

Created: 1999-07-15
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6
2D diagram of URS
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Chemical Component Summary

NameN-PHENYLTHIOUREA
Systematic Name (OpenEye OEToolkits)phenylthiourea
FormulaC7 H8 N2 S
Molecular Weight152.217
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04S=C(Nc1ccccc1)N
SMILESCACTVS3.341NC(=S)Nc1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)NC(=S)N
Canonical SMILESCACTVS3.341 NC(=S)Nc1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)NC(=S)N
InChIInChI1.03 InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyInChI1.03 FULZLIGZKMKICU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03694 
NameN-phenylthiourea
Groups experimental
Synonyms
  • phenylthiocarbamide
  • α-phenylthiourea
  • phenyl-2-thiourea
  • 1-phenyl-2-thiourea
  • N-phenylthiourea
Categories
  • Amides
  • Sulfur Compounds
  • Thiourea
CAS number103-85-5

Drug Targets

NameTarget SequencePharmacological ActionActions
TyrosinaseMLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLS...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 7682, 676454
ChEMBL CHEMBL263376
ChEBI CHEBI:46261
CCDC/CSD QQQDDM01
COD 2203912