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

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-(4-methoxyphenyl)sulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)sulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-[(4-methoxyphenyl)thio]-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)sulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-[(4-methoxyphenyl)thio]azepan-2-one Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S[C@H]2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO3S/c1-25-16-9-11-17(12-10-16)26-18-4-2-3-13-22(20(18)24)19(23)14-5-7-15(21)8-6-14/h5-12,18H,2-4,13H2,1H3/t18-/m0/s1