| SpectraBase Spectrum ID |
B63ucgho6W0 |
| Name |
1-(4'-Chlorophenyl)-6-phenyl-2-(benzylthio)-isothio-biurea |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19ClN4OS |
| InChI |
InChI=1S/C21H19ClN4OS/c22-17-11-13-19(14-12-17)24-21(28-15-16-7-3-1-4-8-16)26-25-20(27)23-18-9-5-2-6-10-18/h1-14H,15H2,(H,24,26)(H2,23,25,27) |
| InChIKey |
PJSHNBBSFMUZML-UHFFFAOYSA-N |
| Molecular Weight |
410.923 g/mol |
| SMILES |
N(C(Nc1ccccc1)=O)\N=C\(Nc1ccc(cc1)Cl)SCc1ccccc1 |
| SPLASH |
splash10-014i-1090000000-bff5865a0f1a75ce423f |
| Source of Spectrum |
SK-31-1604-2 |
| Wiley ID |
881981 |
