ethyl 1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C17H23ClN2O4S/c1-4-24-16(21)11-5-7-20(8-6-11)17(25)19-13-10-14(22-2)12(18)9-15(13)23-3/h9-11H,4-8H2,1-3H3,(H,19,25)