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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)CCC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)CCC3=CC=CC=C3F

InChI

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