N-[(2S)-1-(azepan-1-yl)-3-(4-chlorophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-(4-chlorophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-[(4-chlorophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-[(4-chlorophenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-(4-chlorophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-[[(4-chlorophenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C17H23ClN2O2S MolecularWeight: 354.89472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H23ClN2O2S/c1-13(21)19-16(12-23-15-8-6-14(18)7-9-15)17(22)20-10-4-2-3-5-11-20/h6-9,16H,2-5,10-12H2,1H3,(H,19,21)/t16-/m1/s1