N-[4-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]phenyl]acetamide IUPAC Name: N-[4-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]phenyl]acetamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-14(25)23-17-9-11-18(12-10-17)28-19-4-2-3-13-24(21(19)27)20(26)15-5-7-16(22)8-6-15/h5-12,19H,2-4,13H2,1H3,(H,23,25)