EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H26N4O3S |
| Net Charge | 0 |
| Average Mass | 438.553 |
| Monoisotopic Mass | 438.17256 |
| SMILES | CC(=O)N1CCC2(CC1)CC(=NNC(=S)Nc1ccc(C)cc1)c1cc(O)ccc1O2 |
| InChI | InChI=1S/C23H26N4O3S/c1-15-3-5-17(6-4-15)24-22(31)26-25-20-14-23(9-11-27(12-10-23)16(2)28)30-21-8-7-18(29)13-19(20)21/h3-8,13,29H,9-12,14H2,1-2H3,(H2,24,26,31) |
| InChIKey | OYHRYVPSYREGSG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(1'-acetyl-6-hydroxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]ylidene)amino]-3-(4-methylphenyl)thiourea (CHEBI:116546) is a 1-benzopyran (CHEBI:38443) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28001 | LINCS |