EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21N3O2S2 |
| Net Charge | 0 |
| Average Mass | 423.563 |
| Monoisotopic Mass | 423.10752 |
| SMILES | C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=NCc1ccccc1 |
| InChI | InChI=1S/C22H21N3O2S2/c1-4-12-25-20(26)19(29-22(25)23-14-15-8-6-5-7-9-15)21-24(2)17-13-16(27-3)10-11-18(17)28-21/h4-11,13H,1,12,14H2,2-3H3 |
| InChIKey | HRDPRTLZKJAGFY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)imino-3-prop-2-enyl-4-thiazolidinone (CHEBI:116542) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27997 | LINCS |