URS

N-PHENYLTHIOUREA

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

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4 entries where URS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of URS

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Chemical Component Summary
Name	N-PHENYLTHIOUREA
Systematic Name (OpenEye OEToolkits)	phenylthiourea
Formula	C₇ H₈ N₂ S
Molecular Weight	152.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S=C(Nc1ccccc1)N
SMILES	CACTVS	3.341	NC(=S)Nc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NC(=S)N
Canonical SMILES	CACTVS	3.341	NC(=S)Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)NC(=S)N
InChI	InChI	1.03	InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey	InChI	1.03	FULZLIGZKMKICU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03694
Name	N-phenylthiourea
Groups	experimental
Synonyms	monophenyl thiourea phenyl-2-thiourea phenylthiourea 1-phenyl-2-thiourea α-phenylthiourea phenylthiocarbamide N-phenylthiourea
Categories	Amides Sulfur Compounds Thiourea
CAS number	103-85-5

Related Resource References

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

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.