N-(2-methylphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: 4-hydroxy-N-(o-tolyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: 4-hydroxy-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-hydroxy-N-(2-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: 4-hydroxy-N-(o-tolyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C20H21F3N2OS MolecularWeight: 394.45375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C20H21F3N2OS/c1-14-5-2-3-8-17(14)24-18(27)25-11-9-19(26,10-12-25)15-6-4-7-16(13-15)20(21,22)23/h2-8,13,26H,9-12H2,1H3,(H,24,27)