EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H21N3O2S |
| Net Charge | 0 |
| Average Mass | 403.507 |
| Monoisotopic Mass | 403.13545 |
| SMILES | Cc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 |
| InChI | InChI=1S/C23H21N3O2S/c1-15-7-2-4-9-18(15)25-21(27)14-29-23-17(13-24)22(20-11-6-12-28-20)16-8-3-5-10-19(16)26-23/h2,4,6-7,9,11-12H,3,5,8,10,14H2,1H3,(H,25,27) |
| InChIKey | WTFVDPWAUMHNLS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(2-methylphenyl)acetamide (CHEBI:109730) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21158 | LINCS |