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

Systemtic Name: ethyl 1-[(4-methylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(p-tolylcarbamothioyl)piperidine-3-carboxylate CAS Name: 1-[(4-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-(p-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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-3-20-15(19)13-5-4-10-18(11-13)16(21)17-14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,17,21)