(3S)-1-(4-chlorophenyl)carbonyl-3-(1-methylbenzimidazol-2-yl)sulfanyl-azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-(1-methylbenzimidazol-2-yl)sulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(1-methylbenzimidazol-2-yl)sulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-[(1-methyl-2-benzimidazolyl)thio]-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(1-methylbenzimidazol-2-yl)sulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-[(1-methylbenzimidazol-2-yl)thio]azepan-2-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1S[C@H]3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-24-17-7-3-2-6-16(17)23-21(24)28-18-8-4-5-13-25(20(18)27)19(26)14-9-11-15(22)12-10-14/h2-3,6-7,9-12,18H,4-5,8,13H2,1H3/t18-/m0/s1