EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N4O5S |
| Net Charge | 0 |
| Average Mass | 418.475 |
| Monoisotopic Mass | 418.13109 |
| SMILES | O=C(CCCCCCC(=O)Nc1ccccc1O)NN=Cc1ccc([N+](=O)[O-])s1 |
| InChI | InChI=1S/C19H22N4O5S/c24-16-8-6-5-7-15(16)21-17(25)9-3-1-2-4-10-18(26)22-20-13-14-11-12-19(29-14)23(27)28/h5-8,11-13,24H,1-4,9-10H2,(H,21,25)(H,22,26) |
| InChIKey | IOMNPNGPPQOBNJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-hydroxyphenyl)-N'-[(5-nitro-2-thiophenyl)methylideneamino]octanediamide (CHEBI:125180) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36646 | LINCS |