EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22N4O3S |
| Net Charge | 0 |
| Average Mass | 422.510 |
| Monoisotopic Mass | 422.14126 |
| SMILES | O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C22H22N4O3S/c27-21(23-17-6-7-19-20(12-17)29-15-28-19)13-25-8-10-26(11-9-25)22-24-18(14-30-22)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13,15H2,(H,23,27) |
| InChIKey | QRSQIARFCOHQNS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]acetamide (CHEBI:107410) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18764 | LINCS |