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3-[3-(4-Phenyl-1-piperazinyl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
SpectraBase Compound ID ptJ9vMOcqt
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
InChIKey FWERNMPKOWJWRZ-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C21H23F3N4OS
Exact Mass 436.154467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWuxotssPs7
Name 3-[3-(4-Phenyl-1-piperazinyl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Comments Computed using HOSE algorithm
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Exact Mass 436.154467039 u
Formula C21H23F3N4OS
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
InChIKey FWERNMPKOWJWRZ-UHFFFAOYSA-N
Molecular Weight 436.497 g/mol
SMILES C1(N(C2=CC=C(OC(F)(F)F)C=C2S1)CCCN1CCN(CC1)C1=CC=CC=C1)=N