ethyl 1-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(5-chloro-2-methoxy-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-chloro-2-methoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H21ClN2O3S/c1-3-22-15(20)11-5-4-8-19(10-11)16(23)18-13-9-12(17)6-7-14(13)21-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,23)