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

Systemtic Name: N-(2,4-dimethylphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: N-(2,4-dimethylphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: N-(2,4-dimethylphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,4-dimethylphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: N-(2,4-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=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)C

Isomeric SMILES

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

InChI

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