EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H20N4O2S3 |
| Net Charge | 0 |
| Average Mass | 432.596 |
| Monoisotopic Mass | 432.07484 |
| SMILES | CCCCn1c(SCc2nc3ccccc3s2)nc2cc(S(N)(=O)=O)ccc21 |
| InChI | InChI=1S/C19H20N4O2S3/c1-2-3-10-23-16-9-8-13(28(20,24)25)11-15(16)22-19(23)26-12-18-21-14-6-4-5-7-17(14)27-18/h4-9,11H,2-3,10,12H2,1H3,(H2,20,24,25) |
| InChIKey | JDMUFUINJWKLBE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzothiazol-2-ylmethylthio)-1-butyl-5-benzimidazolesulfonamide (CHEBI:107762) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19139 | LINCS |