EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H13N3O5S2 |
| Net Charge | 0 |
| Average Mass | 379.419 |
| Monoisotopic Mass | 379.02966 |
| SMILES | NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 |
| InChI | InChI=1S/C15H13N3O5S2/c16-25(20,21)11-4-2-10(3-5-11)17-15(24)18-14(19)9-1-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H2,16,20,21)(H2,17,18,19,24) |
| InChIKey | XJYZIRYULSLJTH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide (CHEBI:109839) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21267 | LINCS |