EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H31N3O3S2 |
| Net Charge | 0 |
| Average Mass | 473.664 |
| Monoisotopic Mass | 473.18068 |
| SMILES | CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(C)cc(C)cc2s1 |
| InChI | InChI=1S/C24H31N3O3S2/c1-5-26(6-2)13-14-27(24-25-23-19(4)16-18(3)17-21(23)31-24)22(28)12-15-32(29,30)20-10-8-7-9-11-20/h7-11,16-17H,5-6,12-15H2,1-4H3 |
| InChIKey | TYWFUHXAJCCBFU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide (CHEBI:103970) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15323 | LINCS |