ethyl 1-[(3,4-dichlorophenyl)methylcarbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3,4-dichlorophenyl)methylcarbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3,4-dichlorophenyl)methylcarbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,4-dichlorophenyl)methylcarbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(3,4-dichlorobenzyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H20Cl2N2O2S MolecularWeight: 375.3132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H20Cl2N2O2S/c1-2-22-15(21)12-4-3-7-20(10-12)16(23)19-9-11-5-6-13(17)14(18)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,19,23)