EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N3O4S3 |
| Net Charge | 0 |
| Average Mass | 437.568 |
| Monoisotopic Mass | 437.05377 |
| SMILES | COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1 |
| InChI | InChI=1S/C18H19N3O4S3/c1-25-13-4-5-14-15(11-13)27-18(19-14)20-17(22)12-6-8-21(9-7-12)28(23,24)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,19,20,22) |
| InChIKey | DFPRYLMPIDXCHP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide (CHEBI:116243) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27698 | LINCS |