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

Systemtic Name: N-(4-methoxyphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: 4-hydroxy-N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: 4-hydroxy-N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-hydroxy-N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: 4-hydroxy-N-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C20H21F3N2O2S/c1-27-17-7-5-16(6-8-17)24-18(28)25-11-9-19(26,10-12-25)14-3-2-4-15(13-14)20(21,22)23/h2-8,13,26H,9-12H2,1H3,(H,24,28)