N-(3,5-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H22F3N3O2S/c1-27-17-11-15(12-18(13-17)28-2)24-19(29)26-8-6-25(7-9-26)16-5-3-4-14(10-16)20(21,22)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,29)