| SpectraBase Spectrum ID |
9StvESwPYWS |
| Name |
Benzoic acid, 4-[[[1-ethyl-5-oxo-3-[(4-pyridinylcarbonyl)amino]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.141990030 u |
| Formula |
C22H23N5O5S |
| InChI |
InChI=1S/C22H23N5O5S/c1-3-26-20(30)17(27(22(26)33)25-19(29)14-9-11-23-12-10-14)13-18(28)24-16-7-5-15(6-8-16)21(31)32-4-2/h5-12,17H,3-4,13H2,1-2H3,(H,24,28)(H,25,29) |
| InChIKey |
UJKBYUCQJYETGO-UHFFFAOYSA-N |
| Molecular Weight |
469.516 g/mol |
| SMILES |
N(C(=O)C=1C=CN=CC1)N1C(N(C(C1CC(NC=1C=CC(=CC1)C(OCC)=O)=O)=O)CC)=S |
![Benzoic acid, 4-[[[1-ethyl-5-oxo-3-[(4-pyridinylcarbonyl)amino]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester](/api/spectrum/9StvESwPYWS/structure.png?h=300&w=458 "Benzoic acid, 4-[[[1-ethyl-5-oxo-3-[(4-pyridinylcarbonyl)amino]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester")
