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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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