EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H21N3O5S |
| Net Charge | 0 |
| Average Mass | 403.460 |
| Monoisotopic Mass | 403.12019 |
| SMILES | COc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2C)cc(OC)c1OC |
| InChI | InChI=1S/C19H21N3O5S/c1-11-7-5-6-8-13(11)18(24)20-19(28)22-21-17(23)12-9-14(25-2)16(27-4)15(10-12)26-3/h5-10H,1-4H3,(H,21,23)(H2,20,22,24,28) |
| InChIKey | YPQWJFBDNDFKGF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methyl-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide (CHEBI:121130) is a benzoic acids (CHEBI:22723) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32573 | LINCS |