EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N3S |
| Net Charge | 0 |
| Average Mass | 307.422 |
| Monoisotopic Mass | 307.11432 |
| SMILES | S=C(NCCc1ccccc1)Nc1cccc2cnccc12 |
| InChI | InChI=1S/C18H17N3S/c22-18(20-12-9-14-5-2-1-3-6-14)21-17-8-4-7-15-13-19-11-10-16(15)17/h1-8,10-11,13H,9,12H2,(H2,20,21,22) |
| InChIKey | KMFSWUHRISKCRW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(5-isoquinolinyl)-3-(2-phenylethyl)thiourea (CHEBI:109018) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20416 | LINCS |