ethyl 1-[(3-methylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(m-tolylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(3-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(m-tolylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=CC(=C2)C

InChI

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