EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N3OS2 |
| Net Charge | 0 |
| Average Mass | 331.466 |
| Monoisotopic Mass | 331.08130 |
| SMILES | O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccs1 |
| InChI | InChI=1S/C16H17N3OS2/c20-15(14-8-5-11-22-14)18-16(21)17-12-6-1-2-7-13(12)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2,(H2,17,18,20,21) |
| InChIKey | QSBKHLSLBKPGBU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide (CHEBI:111250) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22706 | LINCS |