ethyl 4-[[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H23F3N2O3S MolecularWeight: 452.48983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23F3N2O3S/c1-2-30-19(28)15-6-8-18(9-7-15)26-20(31)27-12-10-21(29,11-13-27)16-4-3-5-17(14-16)22(23,24)25/h3-9,14,29H,2,10-13H2,1H3,(H,26,31)