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

Systemtic Name: methyl 1-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[sulfanylidene-[4-(trifluoromethyl)anilino]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(trifluoromethyl)phenyl]thiocarbamoyl]isonipecotic acid methyl ester Formula: C15H17F3N2O2S MolecularWeight: 346.36789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O2S/c1-22-13(21)10-6-8-20(9-7-10)14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,10H,6-9H2,1H3,(H,19,23)