EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H22N2O3S |
| Net Charge | 0 |
| Average Mass | 418.518 |
| Monoisotopic Mass | 418.13511 |
| SMILES | CC1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(N)=O)C1 |
| InChI | InChI=1S/C24H22N2O3S/c1-13-10-11-16-19(12-13)30-24(21(16)22(25)27)26-23(28)20-14-6-2-4-8-17(14)29-18-9-5-3-7-15(18)20/h2-9,13,20H,10-12H2,1H3,(H2,25,27)(H,26,28) |
| InChIKey | DGFWCGTXBUOZKN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide (CHEBI:111309) is a xanthenes (CHEBI:38835) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22765 | LINCS |