ethyl 1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2,4-dichlorobenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,4-dichlorobenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2,4-dichlorobenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C16H18Cl2N2O3S MolecularWeight: 389.29672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N2O3S/c1-2-23-15(22)10-5-7-20(8-6-10)16(24)19-14(21)12-4-3-11(17)9-13(12)18/h3-4,9-10H,2,5-8H2,1H3,(H,19,21,24)