| SpectraBase Spectrum ID |
FQIPbe2HrVD |
| Name |
p-(3-Phenethyl-2-thioureido)hippuric acid, propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.161662848 u |
| Formula |
C21H25N3O3S |
| InChI |
InChI=1S/C21H25N3O3S/c1-2-14-27-19(25)15-23-20(26)17-8-10-18(11-9-17)24-21(28)22-13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,23,26)(H2,22,24,28) |
| InChIKey |
QWYOTNIJXPRGLG-UHFFFAOYSA-N |
| Molecular Weight |
399.509 g/mol |
| SMILES |
N(CCC1=CC=CC=C1)C(NC=1C=CC(C(NCC(OCCC)=O)=O)=CC1)=S |
