EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H38N4O4S |
| Net Charge | 0 |
| Average Mass | 538.714 |
| Monoisotopic Mass | 538.26138 |
| SMILES | COc1cc2cc(CN(CCc3cccc(C)c3)C(=S)NCCCN3CCOCC3)c(=O)nc2cc1OC |
| InChI | InChI=1S/C29H38N4O4S/c1-21-6-4-7-22(16-21)8-11-33(29(38)30-9-5-10-32-12-14-37-15-13-32)20-24-17-23-18-26(35-2)27(36-3)19-25(23)31-28(24)34/h4,6-7,16-19H,5,8-15,20H2,1-3H3,(H,30,38)(H,31,34) |
| InChIKey | FTVZHURJKBLCBP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]-3-[3-(4-morpholinyl)propyl]thiourea (CHEBI:107966) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19343 | LINCS |