4-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-p-phenetylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3O3S2 MolecularWeight: 473.53219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S2/c1-2-29-17-6-8-18(9-7-17)31(27,28)26-12-10-25(11-13-26)19(30)24-16-5-3-4-15(14-16)20(21,22)23/h3-9,14H,2,10-13H2,1H3,(H,24,30)