N,N-bis(2-cyanoethyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[1-(p-tolyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H21N5OS/c1-17-8-10-18(11-9-17)27-20-7-3-2-6-19(20)25-22(27)29-16-21(28)26(14-4-12-23)15-5-13-24/h2-3,6-11H,4-5,14-16H2,1H3