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

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N-(2,4-dimethoxyphenyl)-4-oxidanyl-piperidine-1-carbothioamide Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,4-dimethoxyphenyl)-4-hydroxy-piperidine-1-carbothioamide CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,4-dimethoxyphenyl)-4-hydroxy-1-piperidinecarbothioamide IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,4-dimethoxyphenyl)-4-hydroxypiperidine-1-carbothioamide Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,4-dimethoxyphenyl)-4-hydroxy-piperidine-1-carbothioamide Formula: C21H22ClF3N2O3S MolecularWeight: 474.92419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC(=C(C=C3)Cl)C(F)(F)F)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC(=C(C=C3)Cl)C(F)(F)F)O)OC

InChI

InChI=1S/C21H22ClF3N2O3S/c1-29-14-4-6-17(18(12-14)30-2)26-19(31)27-9-7-20(28,8-10-27)13-3-5-16(22)15(11-13)21(23,24)25/h3-6,11-12,28H,7-10H2,1-2H3,(H,26,31)