SpectraBase Spectrum ID |
AAHOpAwFMEl |
Name |
Benzamide, N-(3-ethyl-5-methylaminocarbonylmethyl-4-oxo-2-thioxo-1-imidazolidinyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
334.109961627 u |
Formula |
C15H18N4O3S |
InChI |
InChI=1S/C15H18N4O3S/c1-3-18-14(22)11(9-12(20)16-2)19(15(18)23)17-13(21)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,20)(H,17,21) |
InChIKey |
ZCRYHTWNWVNEEQ-UHFFFAOYSA-N |
Molecular Weight |
334.394 g/mol |
SMILES |
C1=CC=C(C=C1)C(NN1C(N(C(=O)C1CC(=O)NC)CC)=S)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970301 |