SpectraBase Spectrum ID |
LWuxotssPs7 |
Name |
3-[3-(4-Phenyl-1-piperazinyl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |