N-(2-cyano-3-methyl-butan-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(1-hexyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(1-hexylbenzimidazol-2-yl)thio]acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C21H30N4OS/c1-5-6-7-10-13-25-18-12-9-8-11-17(18)23-20(25)27-14-19(26)24-21(4,15-22)16(2)3/h8-9,11-12,16H,5-7,10,13-14H2,1-4H3,(H,24,26)