EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21N3O3S |
| Net Charge | 0 |
| Average Mass | 359.451 |
| Monoisotopic Mass | 359.13036 |
| SMILES | O=C(CCCCCC(=O)NN=Cc1ccc(-c2cccs2)cc1)NO |
| InChI | InChI=1S/C18H21N3O3S/c22-17(6-2-1-3-7-18(23)21-24)20-19-13-14-8-10-15(11-9-14)16-5-4-12-25-16/h4-5,8-13,24H,1-3,6-7H2,(H,20,22)(H,21,23) |
| InChIKey | MSBSKEZZBZJPHP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-37218 (CHEBI:125657) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37218 | LINCS |