EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H15N3O2S |
| Net Charge | 0 |
| Average Mass | 325.393 |
| Monoisotopic Mass | 325.08850 |
| SMILES | Cc1cc(=O)oc2cc(NC(=S)NCc3ccccn3)ccc12 |
| InChI | InChI=1S/C17H15N3O2S/c1-11-8-16(21)22-15-9-12(5-6-14(11)15)20-17(23)19-10-13-4-2-3-7-18-13/h2-9H,10H2,1H3,(H2,19,20,23) |
| InChIKey | IGKRBWTWRQNUEN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea (CHEBI:108237) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19614 | LINCS |