SpectraBase Spectrum ID |
L6TdTZ95BCI |
Name |
Acetamide, N-[4-[[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]sulfonyl]phenyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
437.086783829 u |
Formula |
C22H19N3O3S2 |
InChI |
InChI=1S/C22H19N3O3S2/c1-14-3-12-20-21(13-14)29-22(24-20)16-4-6-18(7-5-16)25-30(27,28)19-10-8-17(9-11-19)23-15(2)26/h3-13,25H,1-2H3,(H,23,26) |
InChIKey |
XHYMIULQBXHUKY-UHFFFAOYSA-N |
Molecular Weight |
437.532 g/mol |
SMILES |
CC=1C=C2SC(C3=CC=C(NS(C=4C=CC(NC(=O)C)=CC4)(=O)=O)C=C3)=NC2=CC1 |