EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N3O5S3 |
| Net Charge | 0 |
| Average Mass | 465.578 |
| Monoisotopic Mass | 465.04868 |
| SMILES | O=C(CSc1nc2ccccc2s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O |
| InChI | InChI=1S/C19H19N3O5S3/c23-16-6-5-13(30(25,26)22-7-9-27-10-8-22)11-15(16)20-18(24)12-28-19-21-14-3-1-2-4-17(14)29-19/h1-6,11,23H,7-10,12H2,(H,20,24) |
| InChIKey | IDOYVYUFPNLSKM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzothiazol-2-ylthio)-N-[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]acetamide (CHEBI:117046) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28494 | LINCS |