2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5-(trifluoromethyloxy)-1,2-benzothiazol-3-one

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5-(trifluoromethyloxy)-1,2-benzothiazol-3-one Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5-(trifluoromethoxy)-1,2-benzothiazol-3-one CAS Name: 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-5-(trifluoromethoxy)-1,2-benzothiazol-3-one IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-5-(trifluoromethoxy)-1,2-benzothiazol-3-one Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazino]butyl]-5-(trifluoromethoxy)-1,2-benzothiazol-3-one Formula: C20H22F3N5O2S MolecularWeight: 453.48119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=C(S2)C=CC(=C3)OC(F)(F)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=C(S2)C=CC(=C3)OC(F)(F)F)C4=NC=CC=N4

InChI

InChI=1S/C20H22F3N5O2S/c21-20(22,23)30-15-4-5-17-16(14-15)18(29)28(31-17)9-2-1-8-26-10-12-27(13-11-26)19-24-6-3-7-25-19/h3-7,14H,1-2,8-13H2