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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-3-22-16(21)14-5-4-10-19(11-14)17(23)18-15(20)13-8-6-12(2)7-9-13/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,20,23)