2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: N-(2-oxoazepan-3-yl)-2-[1-(p-tolyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4CCCCNC4=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4CCCCNC4=O

InChI

InChI=1S/C22H24N4O2S/c1-15-9-11-16(12-10-15)26-19-8-3-2-6-17(19)25-22(26)29-14-20(27)24-18-7-4-5-13-23-21(18)28/h2-3,6,8-12,18H,4-5,7,13-14H2,1H3,(H,23,28)(H,24,27)