(2S)-2-[(2-methylphenyl)methyl]-N-(6-oxidanylidenepiperidin-2-yl)-3-sulfanyl-propanamide

Systemtic Name: (2S)-2-[(2-methylphenyl)methyl]-N-(6-oxidanylidenepiperidin-2-yl)-3-sulfanyl-propanamide Openeye Name: (2S)-2-(o-tolylmethyl)-N-(6-oxo-2-piperidyl)-3-sulfanyl-propanamide CAS Name: (2S)-2-(mercaptomethyl)-3-(2-methylphenyl)-N-(6-oxo-2-piperidinyl)propanamide IUPAC Name: (2S)-2-[(2-methylphenyl)methyl]-N-(6-oxopiperidin-2-yl)-3-sulfanylpropanamide Traditional Name: (2S)-N-(6-keto-2-piperidyl)-2-(mercaptomethyl)-3-(o-tolyl)propionamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CS)C(=O)NC2CCCC(=O)N2

Isomeric SMILES

CC1=CC=CC=C1C[C@H](CS)C(=O)NC2CCCC(=O)N2

InChI

InChI=1S/C16H22N2O2S/c1-11-5-2-3-6-12(11)9-13(10-21)16(20)18-14-7-4-8-15(19)17-14/h2-3,5-6,13-14,21H,4,7-10H2,1H3,(H,17,19)(H,18,20)/t13-,14?/m1/s1