| SpectraBase Spectrum ID |
FoaroeNae6K |
| Name |
p-(3-Benzyl-2-thioureido)hippuric acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.114712655 u |
| Formula |
C18H19N3O3S |
| InChI |
InChI=1S/C18H19N3O3S/c1-24-16(22)12-19-17(23)14-7-9-15(10-8-14)21-18(25)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,23)(H2,20,21,25) |
| InChIKey |
KGRGMSZWODAAPY-UHFFFAOYSA-N |
| Molecular Weight |
357.428 g/mol |
| SMILES |
N(CC1=CC=CC=C1)C(NC=1C=CC(C(NCC(OC)=O)=O)=CC1)=S |
