EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H21N3OS |
| Net Charge | 0 |
| Average Mass | 387.508 |
| Monoisotopic Mass | 387.14053 |
| SMILES | CCC1=Nc2cc(C(=O)NCc3cccnc3)ccc2Sc2ccc(C)cc21 |
| InChI | InChI=1S/C23H21N3OS/c1-3-19-18-11-15(2)6-8-21(18)28-22-9-7-17(12-20(22)26-19)23(27)25-14-16-5-4-10-24-13-16/h4-13H,3,14H2,1-2H3,(H,25,27) |
| InChIKey | URDKQQIMLBJZOD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-ethyl-8-methyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide (CHEBI:119981) is a dibenzothiazepine (CHEBI:39268) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31424 | LINCS |