EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N2O4S |
| Net Charge | 0 |
| Average Mass | 358.419 |
| Monoisotopic Mass | 358.09873 |
| SMILES | COc1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1OC |
| InChI | InChI=1S/C18H18N2O4S/c1-22-14-6-5-12(10-15(14)23-2)7-8-19-18(21)13-11-16(24-20-13)17-4-3-9-25-17/h3-6,9-11H,7-8H2,1-2H3,(H,19,21) |
| InChIKey | RALPGQIYDOTOCX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide (CHEBI:117066) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28513 | LINCS |