4-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3O4S2 MolecularWeight: 489.53159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F)OC

InChI

InChI=1S/C20H22F3N3O4S2/c1-29-17-8-7-14(13-18(17)30-2)32(27,28)26-11-9-25(10-12-26)19(31)24-16-6-4-3-5-15(16)20(21,22)23/h3-8,13H,9-12H2,1-2H3,(H,24,31)