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

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-N-(2-methoxyphenyl)-4-oxidanyl-piperidine-1-carbothioamide Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(2-methoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(2-methoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(2-methoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(2-methoxyphenyl)piperidine-1-carbothioamide Formula: C20H20ClF3N2O2S MolecularWeight: 444.89821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF3N2O2S/c1-28-17-5-3-2-4-16(17)25-18(29)26-10-8-19(27,9-11-26)13-6-7-15(21)14(12-13)20(22,23)24/h2-7,12,27H,8-11H2,1H3,(H,25,29)