methyl 1-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C16H21ClN2O2S MolecularWeight: 340.86814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCC(CC2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCC(CC2)C(=O)OC)C

InChI

InChI=1S/C16H21ClN2O2S/c1-10-8-11(2)14(13(17)9-10)18-16(22)19-6-4-12(5-7-19)15(20)21-3/h8-9,12H,4-7H2,1-3H3,(H,18,22)