(3S)-1-(4-chlorophenyl)carbonyl-3-pyridin-2-ylsulfanyl-azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-pyridin-2-ylsulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(2-pyridylsulfanyl)azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(2-pyridinylthio)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-pyridin-2-ylsulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(2-pyridylthio)azepan-2-one Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=CC=CC=N2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O2S/c19-14-9-7-13(8-10-14)17(22)21-12-4-2-5-15(18(21)23)24-16-6-1-3-11-20-16/h1,3,6-11,15H,2,4-5,12H2/t15-/m0/s1