ethyl 1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(o-tolylcarbamothioyl)piperidine-3-carboxylate CAS Name: 1-[(2-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-(o-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=C2C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC=C2C

InChI

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