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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-(1-propylimidazol-2-yl)sulfanyl-azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-(1-propylimidazol-2-yl)sulfanyl-azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(1-propyl-2-imidazolyl)thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-(1-propylimidazol-2-yl)sulfanylazepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[(1-propylimidazol-2-yl)thio]azepan-2-one Formula: C19H22ClN3O2S MolecularWeight: 391.91488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C=CN=C1SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O2S/c1-2-11-22-13-10-21-19(22)26-16-5-3-4-12-23(18(16)25)17(24)14-6-8-15(20)9-7-14/h6-10,13,16H,2-5,11-12H2,1H3