NW6
Summary
Name: | nocodazole |
Formula: | C14 H11 N3 O3 S |
Formal charge: | 0 |
Formula weight: | 301.32 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 3.1.0.0 | methyl ~{N}-(5-thiophen-2-ylcarbonyl-1~{H}-benzimidazol-2-yl)carbamate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | 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) |
InChIKey | InChI | 1.06 | KYRVNWMVYQXFEU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3 |
SMILES | CACTVS | 3.385 | COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3cccs3 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3cccs3 |