N-[3-(benzimidazol-1-yl)propyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCN2C=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C21H24N4O2S/c1-16-6-4-7-17(12-16)24-21(27)14-28-13-20(26)22-10-5-11-25-15-23-18-8-2-3-9-19(18)25/h2-4,6-9,12,15H,5,10-11,13-14H2,1H3,(H,22,26)(H,24,27)