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

Systemtic Name: methyl 1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3-chloro-4-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-chloro-4-methylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C15H19ClN2O2S MolecularWeight: 326.84156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O2S/c1-10-3-4-12(9-13(10)16)17-15(21)18-7-5-11(6-8-18)14(19)20-2/h3-4,9,11H,5-8H2,1-2H3,(H,17,21)