SpectraBase Spectrum ID |
7BGd1bXs7yY |
Name |
5-Benzyl-2-({4-[(2-bromophenoxy)methyl]benzoyl}amino)-3-thiophenecarboxamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
520.045626715 u |
Formula |
C26H21BrN2O3S |
InChI |
InChI=1S/C26H21BrN2O3S/c27-22-8-4-5-9-23(22)32-16-18-10-12-19(13-11-18)25(31)29-26-21(24(28)30)15-20(33-26)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H2,28,30)(H,29,31) |
InChIKey |
OMVTWONGLNJKMM-UHFFFAOYSA-N |
Molecular Weight |
521.429 g/mol |
SMILES |
NC(C1=C(SC(=C1)CC1=CC=CC=C1)NC(C1=CC=C(COC2=C(Br)C=CC=C2)C=C1)=O)=O |