4-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3O4S2 MolecularWeight: 489.53159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

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