EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H14N2O3S |
| Net Charge | 0 |
| Average Mass | 338.388 |
| Monoisotopic Mass | 338.07251 |
| SMILES | COc1ccc2c(c1)SC1=NC(=O)C(Cc3ccccc3)C(=O)N12 |
| InChI | InChI=1S/C18H14N2O3S/c1-23-12-7-8-14-15(10-12)24-18-19-16(21)13(17(22)20(14)18)9-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3 |
| InChIKey | TZLQDAXJSITRIB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-methoxy-3-(phenylmethyl)pyrimido[2,1-b][1,3]benzothiazole-2,4-dione (CHEBI:93853) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4414 | LINCS |