N-(4-ethoxyphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: 4-hydroxy-N-p-phenetyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C21H23F3N2O2S MolecularWeight: 424.47973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C21H23F3N2O2S/c1-2-28-18-8-6-17(7-9-18)25-19(29)26-12-10-20(27,11-13-26)15-4-3-5-16(14-15)21(22,23)24/h3-9,14,27H,2,10-13H2,1H3,(H,25,29)