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

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)ethanoylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(4-chlorophenyl)acetyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O3S/c1-2-23-16(22)13-7-9-20(10-8-13)17(24)19-15(21)11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,21,24)