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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C16H21ClN2O2S/c1-3-21-15(20)12-7-9-19(10-8-12)16(22)18-14-6-4-5-13(17)11(14)2/h4-6,12H,3,7-10H2,1-2H3,(H,18,22)