EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H22N2O3S2 |
| Net Charge | 0 |
| Average Mass | 354.497 |
| Monoisotopic Mass | 354.10718 |
| SMILES | CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(C)cc1 |
| InChI | InChI=1S/C16H22N2O3S2/c1-4-18(5-2)16(22)23-11-10-14(19)17-15(20)21-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,19,20) |
| InChIKey | OBDCJJZZJUNMCZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester (CHEBI:108560) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19934 | LINCS |