3-phenyl-1-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-phenyl-1-[4-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-phenyl-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-phenyl-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1-piperazinyl]-1-propanone IUPAC Name: 3-phenyl-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-phenyl-1-[4-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperazino]propan-1-one Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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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)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H20F3N3O2S/c22-21(23,24)29-16-7-8-17-18(14-16)30-20(25-17)27-12-10-26(11-13-27)19(28)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2