methyl 1-[(2-methylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2-methylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-(o-tolylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-methylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(o-tolylthiocarbamoyl)isonipecotic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C15H20N2O2S/c1-11-5-3-4-6-13(11)16-15(20)17-9-7-12(8-10-17)14(18)19-2/h3-6,12H,7-10H2,1-2H3,(H,16,20)