EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H19N3O3S |
| Net Charge | 0 |
| Average Mass | 405.479 |
| Monoisotopic Mass | 405.11471 |
| SMILES | CCc1cccc(NC(=O)c2ccc(Cn3c(=O)nc4ccsc4c3=O)cc2)c1 |
| InChI | InChI=1S/C22H19N3O3S/c1-2-14-4-3-5-17(12-14)23-20(26)16-8-6-15(7-9-16)13-25-21(27)19-18(10-11-29-19)24-22(25)28/h3-12H,2,13H2,1H3,(H,23,26)(H,24,28) |
| InChIKey | QRJDWTDZHJTIFG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(3-ethylphenyl)benzamide (CHEBI:109509) is a benzamides (CHEBI:22702) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20907 | LINCS |