EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16N4O3S2 |
| Net Charge | 0 |
| Average Mass | 364.452 |
| Monoisotopic Mass | 364.06638 |
| SMILES | COc1ccccc1Nc1nnc(SCC(=O)N2CCCC2=O)s1 |
| InChI | InChI=1S/C15H16N4O3S2/c1-22-11-6-3-2-5-10(11)16-14-17-18-15(24-14)23-9-13(21)19-8-4-7-12(19)20/h2-3,5-6H,4,7-9H2,1H3,(H,16,17) |
| InChIKey | VDABWSVDGLDYMB-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone (CHEBI:120932) is a methoxybenzenes (CHEBI:51683) |
| 1-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone (CHEBI:120932) is a substituted aniline (CHEBI:48975) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32375 | LINCS |