ethyl 1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C17H23ClN2O4S/c1-4-24-16(21)11-6-5-7-20(10-11)17(25)19-13-9-14(22-2)12(18)8-15(13)23-3/h8-9,11H,4-7,10H2,1-3H3,(H,19,25)