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

Systemtic Name: ethyl 1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-fluorobenzyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C16H21FN2O2S MolecularWeight: 324.413543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN2O2S/c1-2-21-15(20)13-7-9-19(10-8-13)16(22)18-11-12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,22)