EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N3OS |
| Net Charge | 0 |
| Average Mass | 323.421 |
| Monoisotopic Mass | 323.10923 |
| SMILES | CCOc1ccc(NC(=S)Nc2cccc3cnccc23)cc1 |
| InChI | InChI=1S/C18H17N3OS/c1-2-22-15-8-6-14(7-9-15)20-18(23)21-17-5-3-4-13-12-19-11-10-16(13)17/h3-12H,2H2,1H3,(H2,20,21,23) |
| InChIKey | VLNSVTSRPOFHBE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-ethoxyphenyl)-3-(5-isoquinolinyl)thiourea (CHEBI:119888) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31332 | LINCS |