EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N3O4S |
| Net Charge | 0 |
| Average Mass | 371.418 |
| Monoisotopic Mass | 371.09398 |
| SMILES | CCC(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1OC |
| InChI | InChI=1S/C18H17N3O4S/c1-3-15(22)20-16(14-7-5-9-26-14)12-10-13(21(23)24)11-6-4-8-19-17(11)18(12)25-2/h4-10,16H,3H2,1-2H3,(H,20,22) |
| InChIKey | MVSDRWFMCCQNRB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(8-methoxy-5-nitro-7-quinolinyl)-thiophen-2-ylmethyl]propanamide (CHEBI:91974) is a nitro compound (CHEBI:35715) |
| N-[(8-methoxy-5-nitro-7-quinolinyl)-thiophen-2-ylmethyl]propanamide (CHEBI:91974) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1935 | LINCS |