EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H23N3OS2 |
| Net Charge | 0 |
| Average Mass | 385.558 |
| Monoisotopic Mass | 385.12825 |
| SMILES | CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCN(C(C)C)C2 |
| InChI | InChI=1S/C20H23N3OS2/c1-12(2)23-10-6-7-14-17(11-23)26-19(21-13(3)24)18(14)20-22-15-8-4-5-9-16(15)25-20/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,21,24) |
| InChIKey | BBGBEKIWIWQGAB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-(1,3-benzothiazol-2-yl)-7-propan-2-yl-4,5,6,8-tetrahydrothieno[2,3-c]azepin-2-yl]acetamide (CHEBI:92066) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2057 | LINCS |