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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-(3-bromophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-[(3-bromophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-[(3-bromophenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-(3-bromophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-[[(3-bromophenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C17H23BrN2O2S MolecularWeight: 399.34572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O2S/c1-13(21)19-16(12-23-15-8-6-7-14(18)11-15)17(22)20-9-4-2-3-5-10-20/h6-8,11,16H,2-5,9-10,12H2,1H3,(H,19,21)/t16-/m1/s1