ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(m-tolylcarbamothioyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(m-tolylthiocarbamoyl)nipecotic acid ethyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C16H22N2O2S/c1-3-20-15(19)13-7-5-9-18(11-13)16(21)17-14-8-4-6-12(2)10-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,21)/t13-/m0/s1