ethyl 1-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H23ClN2O2S MolecularWeight: 354.89472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C17H23ClN2O2S/c1-4-22-16(21)13-5-7-20(8-6-13)17(23)19-15-12(3)9-11(2)10-14(15)18/h9-10,13H,4-8H2,1-3H3,(H,19,23)