EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N4O4S2 |
| Net Charge | 0 |
| Average Mass | 418.500 |
| Monoisotopic Mass | 418.07695 |
| SMILES | CCOc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1 |
| InChI | InChI=1S/C18H18N4O4S2/c1-4-26-11-5-7-13-16(9-11)27-17(19-13)20-28(24,25)12-6-8-14-15(10-12)22(3)18(23)21(14)2/h5-10H,4H2,1-3H3,(H,19,20) |
| InChIKey | QTUHMOVIXHCTLH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2-oxo-5-benzimidazolesulfonamide (CHEBI:105664) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17027 | LINCS |