2-phenylsulfanyl-1-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-phenylsulfanyl-1-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-phenylsulfanyl-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(phenylthio)-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1-piperazinyl]ethanone IUPAC Name: 2-phenylsulfanyl-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(phenylthio)-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazino]ethanone Formula: C20H18F3N3O2S2 MolecularWeight: 453.50103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C20H18F3N3O2S2/c21-20(22,23)28-14-6-7-16-17(12-14)30-19(24-16)26-10-8-25(9-11-26)18(27)13-29-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2