4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N-(2,6-diethylphenyl)-4-oxidanyl-piperidine-1-carbothioamide

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N-(2,6-diethylphenyl)-4-oxidanyl-piperidine-1-carbothioamide Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,6-diethylphenyl)-4-hydroxy-piperidine-1-carbothioamide CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,6-diethylphenyl)-4-hydroxy-1-piperidinecarbothioamide IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,6-diethylphenyl)-4-hydroxypiperidine-1-carbothioamide Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,6-diethylphenyl)-4-hydroxy-piperidine-1-carbothioamide Formula: C23H26ClF3N2OS MolecularWeight: 470.97855

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)(C3=CC(=C(C=C3)Cl)C(F)(F)F)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)(C3=CC(=C(C=C3)Cl)C(F)(F)F)O

InChI

InChI=1S/C23H26ClF3N2OS/c1-3-15-6-5-7-16(4-2)20(15)28-21(31)29-12-10-22(30,11-13-29)17-8-9-19(24)18(14-17)23(25,26)27/h5-9,14,30H,3-4,10-13H2,1-2H3,(H,28,31)