EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H25N5O3S2 |
| Net Charge | 0 |
| Average Mass | 471.608 |
| Monoisotopic Mass | 471.13988 |
| SMILES | Cc1ccc2nc(SCC(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)nc2c1 |
| InChI | InChI=1S/C22H25N5O3S2/c1-15-9-10-18-19(12-15)26-22(25-18)31-14-21(28)24-16-6-5-7-17(13-16)32(29,30)27-20-8-3-2-4-11-23-20/h5-7,9-10,12-13H,2-4,8,11,14H2,1H3,(H,23,27)(H,24,28)(H,25,26) |
| InChIKey | QNOSSNASSAHMEG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide (CHEBI:108447) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19823 | LINCS |