| SpectraBase Spectrum ID |
EMQK5WtnZsX |
| Name |
Methyl 4-{[({[2-(4-chlorophenyl)-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 |
475.075740323 u |
| Formula |
C25H18ClN3O3S |
| InChI |
InChI=1S/C25H18ClN3O3S/c1-32-24(31)16-8-12-18(13-9-16)27-25(33)29-23(30)20-14-22(15-6-10-17(26)11-7-15)28-21-5-3-2-4-19(20)21/h2-14H,1H3,(H2,27,29,30,33) |
| InChIKey |
CRBMHGXMLLNFRO-UHFFFAOYSA-N |
| Molecular Weight |
475.950 g/mol |
| SMILES |
N(C(C=1C=C(C2=CC=C(C=C2)Cl)N=C2C1C=CC=C2)=O)C(NC=1C=CC(C(=O)OC)=CC1)=S |
![Methyl 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate](/api/spectrum/EMQK5WtnZsX/structure.png?h=300&w=458 "Methyl 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate")
