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

Systemtic Name: ethyl 1-[(3-methylphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methylbenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methylbenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(m-toluoylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-3-22-16(21)13-7-9-19(10-8-13)17(23)18-15(20)14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,20,23)