methyl 1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3,4-dimethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3,4-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3,4-dimethylphenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-11-4-5-14(10-12(11)2)17-16(21)18-8-6-13(7-9-18)15(19)20-3/h4-5,10,13H,6-9H2,1-3H3,(H,17,21)