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

Systemtic Name: methyl 1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3-chloro-4-fluoro-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-chloro-4-fluorophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C14H16ClFN2O2S MolecularWeight: 330.805443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H16ClFN2O2S/c1-20-13(19)9-4-6-18(7-5-9)14(21)17-10-2-3-12(16)11(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,17,21)