methyl 1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3-chloro-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C15H19ClN2O2S MolecularWeight: 326.84156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)C(=O)OC

InChI

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