ethyl 1-[2-(2-methylphenyl)ethanoylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-methylphenyl)ethanoylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(o-tolyl)acetyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(2-methylphenyl)acetyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(o-tolyl)acetyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C18H24N2O3S/c1-3-23-17(22)14-8-10-20(11-9-14)18(24)19-16(21)12-15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H,19,21,24)