3-[3-(4-phenylpiperazin-1-yl)propyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine

Systemtic Name: 3-[3-(4-phenylpiperazin-1-yl)propyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine Openeye Name: 3-[3-(4-phenylpiperazin-1-yl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine CAS Name: 3-[3-(4-phenyl-1-piperazinyl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine IUPAC Name: 3-[3-(4-phenylpiperazin-1-yl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine Traditional Name: [3-[3-(4-phenylpiperazino)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine Formula: C21H23F3N4OS MolecularWeight: 436.49373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N)C4=CC=CC=C4

InChI

InChI=1S/C21H23F3N4OS/c22-21(23,24)29-17-7-8-18-19(15-17)30-20(25)28(18)10-4-9-26-11-13-27(14-12-26)16-5-2-1-3-6-16/h1-3,5-8,15,25H,4,9-14H2