methyl 1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-fluorobenzyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C15H19FN2O2S MolecularWeight: 310.386963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H19FN2O2S/c1-20-14(19)12-6-8-18(9-7-12)15(21)17-10-11-2-4-13(16)5-3-11/h2-5,12H,6-10H2,1H3,(H,17,21)