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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O3S/c1-28-16-6-7-17(18(13-16)29-2)25-19(30)26-10-8-20(27,9-11-26)14-4-3-5-15(12-14)21(22,23)24/h3-7,12-13,27H,8-11H2,1-2H3,(H,25,30)