(2S)-2-[(2-methylphenyl)methyl]-N-(7-oxidanylideneazepan-2-yl)-3-sulfanyl-propanamide

Systemtic Name: (2S)-2-[(2-methylphenyl)methyl]-N-(7-oxidanylideneazepan-2-yl)-3-sulfanyl-propanamide Openeye Name: (2S)-2-(o-tolylmethyl)-N-(7-oxoazepan-2-yl)-3-sulfanyl-propanamide CAS Name: (2S)-2-(mercaptomethyl)-3-(2-methylphenyl)-N-(7-oxo-2-azepanyl)propanamide IUPAC Name: (2S)-2-[(2-methylphenyl)methyl]-N-(7-oxoazepan-2-yl)-3-sulfanylpropanamide Traditional Name: (2S)-N-(7-ketoazepan-2-yl)-2-(mercaptomethyl)-3-(o-tolyl)propionamide Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CS)C(=O)NC2CCCCC(=O)N2

Isomeric SMILES

CC1=CC=CC=C1C[C@H](CS)C(=O)NC2CCCCC(=O)N2

InChI

InChI=1S/C17H24N2O2S/c1-12-6-2-3-7-13(12)10-14(11-22)17(21)19-15-8-4-5-9-16(20)18-15/h2-3,6-7,14-15,22H,4-5,8-11H2,1H3,(H,18,20)(H,19,21)/t14-,15?/m1/s1