N-(4-butylphenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C22H24N4OS/c1-2-3-7-17-10-12-18(13-11-17)24-21(27)16-28-22-25-19-8-4-5-9-20(19)26(22)15-6-14-23/h4-5,8-13H,2-3,6-7,15-16H2,1H3,(H,24,27)