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

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-(1-methylimidazol-2-yl)sulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(1-methylimidazol-2-yl)sulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-[(1-methyl-2-imidazolyl)thio]-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(1-methylimidazol-2-yl)sulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-[(1-methylimidazol-2-yl)thio]azepan-2-one Formula: C17H18ClN3O2S MolecularWeight: 363.86172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=CN=C1S[C@H]2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-20-11-9-19-17(20)24-14-4-2-3-10-21(16(14)23)15(22)12-5-7-13(18)8-6-12/h5-9,11,14H,2-4,10H2,1H3/t14-/m0/s1