EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H25N3O3S2 |
| Net Charge | 0 |
| Average Mass | 443.594 |
| Monoisotopic Mass | 443.13373 |
| SMILES | CN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)C1CCS(=O)(=O)C1 |
| InChI | InChI=1S/C22H25N3O3S2/c1-24(18-12-14-30(27,28)16-18)21(26)15-29-22-23-19-9-5-6-10-20(19)25(22)13-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3 |
| InChIKey | DJKAYBDAVYLRCG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[[1-(2-phenylethyl)-2-benzimidazolyl]thio]acetamide (CHEBI:107783) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19160 | LINCS |