EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15N3O2S2 |
| Net Charge | 0 |
| Average Mass | 345.449 |
| Monoisotopic Mass | 345.06057 |
| SMILES | O=C(Cn1c(=O)sc2ccccc21)Nc1nc2c(s1)CCCC2 |
| InChI | InChI=1S/C16H15N3O2S2/c20-14(18-15-17-10-5-1-3-7-12(10)22-15)9-19-11-6-2-4-8-13(11)23-16(19)21/h2,4,6,8H,1,3,5,7,9H2,(H,17,18,20) |
| InChIKey | XKJHWGYQEGZTMG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CHEBI:113040) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24450 | LINCS |