SpectraBase Spectrum ID |
8BA52TcPeE5 |
Name |
N-{4-[4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
447.122832557 u |
Formula |
C22H20F3N3O2S |
InChI |
InChI=1S/C22H20F3N3O2S/c23-22(24,25)17-3-1-2-16(12-17)20(29)26-18-6-4-15(5-7-18)21-27-19(14-31-21)13-28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,26,29) |
InChIKey |
NGNHOZMZDNGWGF-UHFFFAOYSA-N |
Molecular Weight |
447.476 g/mol |
SMILES |
C(C1=CC(C(F)(F)F)=CC=C1)(=O)NC=1C=CC(C2=NC(=CS2)CN2CCOCC2)=CC1 |