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

Systemtic Name: methyl 1-[(3-methylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-(m-tolylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(3-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-methylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(m-tolylthiocarbamoyl)isonipecotic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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