EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H23N3O2S |
| Net Charge | 0 |
| Average Mass | 393.512 |
| Monoisotopic Mass | 393.15110 |
| SMILES | CC1=Nc2nc3ccccc3n2C(c2cccs2)C1C(=O)OC1CCCCC1 |
| InChI | InChI=1S/C22H23N3O2S/c1-14-19(21(26)27-15-8-3-2-4-9-15)20(18-12-7-13-28-18)25-17-11-6-5-10-16(17)24-22(25)23-14/h5-7,10-13,15,19-20H,2-4,8-9H2,1H3 |
| InChIKey | QKTLZXOVUPUVFM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-25679 (CHEBI:114218) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25679 | LINCS |