ethyl (3S)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-fluorophenyl)methylcarbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(4-fluorobenzyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H21FN2O2S MolecularWeight: 324.413543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN2O2S/c1-2-21-15(20)13-4-3-9-19(11-13)16(22)18-10-12-5-7-14(17)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,18,22)/t13-/m0/s1