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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

InChI

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