| PDB CCD ID: | 6R4 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H18 N4 O7 S |
| InChI: | InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21) |
| InChIKey: | JTHMVYBOQLDDIY-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC | | CACTVS 3.385 | CCCOC1=NN(C(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)C(=O)N1C |
|
| Name: | methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate;
Propoxycarbazone |
| ChEMBL: | CHEMBL1882497 |
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