EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H23ClN4O3S |
| Net Charge | 0 |
| Average Mass | 555.059 |
| Monoisotopic Mass | 554.11794 |
| SMILES | COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccccc3)C(=S)N2C(=O)c2ccc(Cl)cc2)cc1 |
| InChI | InChI=1S/C30H23ClN4O3S/c1-37-25-16-12-22(13-17-25)32-27-28(33-23-14-18-26(38-2)19-15-23)35(29(36)20-8-10-21(31)11-9-20)30(39)34(27)24-6-4-3-5-7-24/h3-19H,1-2H3 |
| InChIKey | USQMHIHTNWBJRO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [4,5-bis[(4-methoxyphenyl)imino]-3-phenyl-2-sulfanylidene-1-imidazolidinyl]-(4-chlorophenyl)methanone (CHEBI:116999) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28447 | LINCS |