ethyl 1-[(4-chloranyl-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-chloranyl-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-chloro-2-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-chloro-2-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chloro-2-methylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-chloro-2-methyl-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H21ClN2O2S MolecularWeight: 340.86814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O2S/c1-3-21-15(20)12-5-4-8-19(10-12)16(22)18-14-7-6-13(17)9-11(14)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,22)