| SpectraBase Spectrum ID |
6GRgidotFL1 |
| Name |
3-{[3-(2,4-Difluoroanilino)-3-oxopropyl]sulfanyl}-N-(2,4-difluorophenyl)propanamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.086861587 u |
| Formula |
C18H16F4N2O2S |
| InChI |
InChI=1S/C18H16F4N2O2S/c19-11-1-3-15(13(21)9-11)23-17(25)5-7-27-8-6-18(26)24-16-4-2-12(20)10-14(16)22/h1-4,9-10H,5-8H2,(H,23,25)(H,24,26) |
| InChIKey |
ZBFBQDWRGLVDEY-UHFFFAOYSA-N |
| Molecular Weight |
400.392 g/mol |
| SMILES |
N(C(CCSCCC(NC1=C(C=C(C=C1)F)F)=O)=O)C1=C(C=C(C=C1)F)F |
![3-{[3-(2,4-difluoroanilino)-3-oxopropyl]sulfanyl}-N-(2,4-difluorophenyl)propanamide](/api/spectrum/6GRgidotFL1/structure.png?h=300&w=458 "3-{[3-(2,4-difluoroanilino)-3-oxopropyl]sulfanyl}-N-(2,4-difluorophenyl)propanamide")
