methyl 1-[(3,5-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3,5-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3,5-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3,5-dimethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3,5-dimethylphenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-11-8-12(2)10-14(9-11)17-16(21)18-6-4-13(5-7-18)15(19)20-3/h8-10,13H,4-7H2,1-3H3,(H,17,21)