EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23N3O4S |
| Net Charge | 0 |
| Average Mass | 413.499 |
| Monoisotopic Mass | 413.14093 |
| SMILES | COc1ccc(CCNC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1OC |
| InChI | InChI=1S/C21H23N3O4S/c1-14-5-4-6-16(11-14)20-23-24-21(28-20)29-13-19(25)22-10-9-15-7-8-17(26-2)18(12-15)27-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25) |
| InChIKey | JDSTZSYKWPWHOA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide (CHEBI:114986) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26448 | LINCS |