| SpectraBase Spectrum ID |
GtDoWSrMAP3 |
| Name |
Ethyl 3-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.130362719 u |
| Formula |
C26H21N3O3S |
| InChI |
InChI=1S/C26H21N3O3S/c1-2-32-25(31)18-11-8-12-19(15-18)27-26(33)29-24(30)21-16-23(17-9-4-3-5-10-17)28-22-14-7-6-13-20(21)22/h3-16H,2H2,1H3,(H2,27,29,30,33) |
| InChIKey |
NPPUMDKEUGQTLK-UHFFFAOYSA-N |
| Molecular Weight |
455.532 g/mol |
| SMILES |
N(C(C=1C=C(C2=CC=CC=C2)N=C2C1C=CC=C2)=O)C(NC1=CC(C(=O)OCC)=CC=C1)=S |
![Ethyl 3-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate](/api/spectrum/GtDoWSrMAP3/structure.png?h=300&w=458 "Ethyl 3-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate")
