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

Systemtic Name: N-(2,3-dimethylphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)C

InChI

InChI=1S/C21H23F3N2OS/c1-14-5-3-8-18(15(14)2)25-19(28)26-11-9-20(27,10-12-26)16-6-4-7-17(13-16)21(22,23)24/h3-8,13,27H,9-12H2,1-2H3,(H,25,28)