4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[3-(2-ketoazepan-1-yl)propyl]benzamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O2S/c29-22-9-2-1-5-15-28(22)16-6-14-25-23(30)19-12-10-18(11-13-19)17-31-24-26-20-7-3-4-8-21(20)27-24/h3-4,7-8,10-13H,1-2,5-6,9,14-17H2,(H,25,30)(H,26,27)