N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C21H22ClF3N2O3S MolecularWeight: 474.92419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)OC)Cl

InChI

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