| SpectraBase Spectrum ID |
DfZU28v3XLT |
| Name |
Methyl 2-{[(3-chloroanilino)carbothioyl]amino}-4,5-dimethyl-3-thiophenecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.026347777 u |
| Formula |
C15H15ClN2O2S2 |
| InChI |
InChI=1S/C15H15ClN2O2S2/c1-8-9(2)22-13(12(8)14(19)20-3)18-15(21)17-11-6-4-5-10(16)7-11/h4-7H,1-3H3,(H2,17,18,21) |
| InChIKey |
WKNQDRUCNAFJDH-UHFFFAOYSA-N |
| Molecular Weight |
354.870 g/mol |
| SMILES |
N(C1=C(C(C)=C(S1)C)C(=O)OC)C(NC=1C=C(Cl)C=CC1)=S |
![Methyl 2-{[(3-chloroanilino)carbothioyl]amino}-4,5-dimethyl-3-thiophenecarboxylate](/api/spectrum/DfZU28v3XLT/structure.png?h=300&w=458 "Methyl 2-{[(3-chloroanilino)carbothioyl]amino}-4,5-dimethyl-3-thiophenecarboxylate")
