EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19N3O2S2 |
| Net Charge | 0 |
| Average Mass | 397.525 |
| Monoisotopic Mass | 397.09187 |
| SMILES | Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1 |
| InChI | InChI=1S/C20H19N3O2S2/c1-14-7-9-15(10-8-14)13-16-19(25)23(20(26)27-16)12-4-6-18(24)22-17-5-2-3-11-21-17/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,21,22,24) |
| InChIKey | CMRCYZLRSDSGMN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(2-pyridinyl)butanamide (CHEBI:111187) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22643 | LINCS |