EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N3O4S2 |
| Net Charge | 0 |
| Average Mass | 435.571 |
| Monoisotopic Mass | 435.12865 |
| SMILES | Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)c1 |
| InChI | InChI=1S/C20H25N3O4S2/c1-11-5-7-14-15(8-11)28-20(18(14)19(21)25)23-17(24)10-22-29(26,27)16-9-12(2)4-6-13(16)3/h4,6,9,11,22H,5,7-8,10H2,1-3H3,(H2,21,25)(H,23,24) |
| InChIKey | NBFOIWUHSGFVNS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CHEBI:105909) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17270 | LINCS |