SpectraBase Spectrum ID |
GqqgRnj6YQC |
Name |
Ethyl 4-({[3-[(2-fluorobenzoyl)amino]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
564.147883872 u |
Formula |
C28H25FN4O6S |
InChI |
InChI=1S/C28H25FN4O6S/c1-3-39-27(37)17-8-10-18(11-9-17)30-24(34)16-23-26(36)32(19-12-14-20(38-2)15-13-19)28(40)33(23)31-25(35)21-6-4-5-7-22(21)29/h4-15,23H,3,16H2,1-2H3,(H,30,34)(H,31,35) |
InChIKey |
QNZABMSXPMRZHC-UHFFFAOYSA-N |
Molecular Weight |
564.588 g/mol |
SMILES |
N(N1C(CC(NC=2C=CC(C(=O)OCC)=CC2)=O)C(N(C1=S)C=1C=CC(=CC1)OC)=O)C(C1=C(F)C=CC=C1)=O |