Chemical Components in the PDB

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URS : Summary

Code

URS

One-letter code

X

Molecule name

N-PHENYLTHIOUREA

Systematic names

ProgramVersionName
ACDLabs 10.04 1-phenylthiourea
OpenEye OEToolkits 1.5.0 phenylthiourea

Formula

C7 H8 N2 S

Formal charge

0

Molecular weight

152.217 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

IUPAC InChI key

FULZLIGZKMKICU-UHFFFAOYSA-N
URS

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned