EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H27N5O3S2 |
| Net Charge | 0 |
| Average Mass | 461.613 |
| Monoisotopic Mass | 461.15553 |
| SMILES | CCn1c(CCC(=O)Nc2nc3c(s2)CCCC3)nc2cc(S(=O)(=O)N(C)C)ccc21 |
| InChI | InChI=1S/C21H27N5O3S2/c1-4-26-17-10-9-14(31(28,29)25(2)3)13-16(17)22-19(26)11-12-20(27)24-21-23-15-7-5-6-8-18(15)30-21/h9-10,13H,4-8,11-12H2,1-3H3,(H,23,24,27) |
| InChIKey | VSSQKWYAEYPUJF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CHEBI:108482) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19858 | LINCS |