ethyl 4-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[2-(3-fluorophenyl)ethyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[2-(3-fluorophenyl)ethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(3-fluorophenyl)ethyl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[2-(3-fluorophenyl)ethyl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C23H27FN2O2S MolecularWeight: 414.536083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)CCC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)CCC3=CC(=CC=C3)F

InChI

InChI=1S/C23H27FN2O2S/c1-2-28-22(27)19-8-10-21(11-9-19)25-23(29)26-14-12-17(13-15-26)6-7-18-4-3-5-20(24)16-18/h3-5,8-11,16-17H,2,6-7,12-15H2,1H3,(H,25,29)