EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H15N3O2S |
| Net Charge | 0 |
| Average Mass | 361.426 |
| Monoisotopic Mass | 361.08850 |
| SMILES | Cc1ccccc1NC=C1C(=O)N(c2nccs2)C(=O)c2ccccc21 |
| InChI | InChI=1S/C20H15N3O2S/c1-13-6-2-5-9-17(13)22-12-16-14-7-3-4-8-15(14)18(24)23(19(16)25)20-21-10-11-26-20/h2-12,22H,1H3 |
| InChIKey | SFPMDHOBMKDURP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(2-methylanilino)methylidene]-2-(2-thiazolyl)isoquinoline-1,3-dione (CHEBI:107066) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18420 | LINCS |