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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-2-oxo-1-(p-tolylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-[(4-methylphenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-(4-methylphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-[(p-tolylthio)methyl]ethyl]acetamide Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N2CCCCCC2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N2CCCCCC2)NC(=O)C

InChI

InChI=1S/C18H26N2O2S/c1-14-7-9-16(10-8-14)23-13-17(19-15(2)21)18(22)20-11-5-3-4-6-12-20/h7-10,17H,3-6,11-13H2,1-2H3,(H,19,21)/t17-/m1/s1