| SpectraBase Spectrum ID |
JCFeOXXx4D4 |
| Name |
1-(4'-Methoxyphenyl)-6-phenyl-2-(benzylthio)-isothio-biurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.146347136 u |
| Formula |
C22H22N4O2S |
| InChI |
InChI=1S/C22H22N4O2S/c1-28-20-14-12-19(13-15-20)24-22(29-16-17-8-4-2-5-9-17)26-25-21(27)23-18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,24,26)(H2,23,25,27) |
| InChIKey |
AZRAKNPQGLNXRE-UHFFFAOYSA-N |
| Molecular Weight |
406.504 g/mol |
| SMILES |
C(N\N=C\(NC1=CC=C(C=C1)OC)SCC1=CC=CC=C1)(NC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950075 |
