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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C20H20ClF3N2O2S MolecularWeight: 444.89821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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