EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H19N3O3S |
| Net Charge | 0 |
| Average Mass | 321.402 |
| Monoisotopic Mass | 321.11471 |
| SMILES | CCC1CCCCN1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 |
| InChI | InChI=1S/C15H19N3O3S/c1-2-12-5-3-4-10-17(12)15(22)16-14(19)11-6-8-13(9-7-11)18(20)21/h6-9,12H,2-5,10H2,1H3,(H,16,19,22) |
| InChIKey | FYIZGUYXUWGGRN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide (CHEBI:117164) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28613 | LINCS |