|
NZO : Summary
Code
|
NZO
|
One-letter code
|
X
|
Molecule name
|
nocodazole
|
Synonyms
|
methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
|
Systematic names
|
|
Formula
|
C14 H11 N3 O3 S
|
Formal charge
|
0
|
Molecular weight
|
301.32 Da
|
SMILES
|
Type | Program | Version | Descriptor |
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 |
|
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
|
|