Chemical Components in the PDB

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NZO : Summary

Code

NZO

One-letter code

X

Molecule name

nocodazole

Synonyms

methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
OpenEye OEToolkits 1.5.0 methyl N-(6-thiophen-2-ylcarbonyl-1H-benzimidazol-2-yl)carbamate

Formula

C14 H11 N3 O3 S

Formal charge

0

Molecular weight

301.32 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3
SMILES CACTVS 3.341 COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3
SMILES OpenEye OEToolkits 1.5.0 COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3
Canonical SMILES CACTVS 3.341 COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3

IUPAC InChI

InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

IUPAC InChI key

KYRVNWMVYQXFEU-UHFFFAOYSA-N
NZO

wwPDB Information

Atom count

32 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-09-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned