N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-2-oxo-1-(phenylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxo-3-(phenylthio)propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylsulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-[(phenylthio)methyl]ethyl]acetamide Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2S/c1-14(20)18-16(13-22-15-9-5-4-6-10-15)17(21)19-11-7-2-3-8-12-19/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,18,20)/t16-/m1/s1