Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c2sc(c1ncccc1)cc2)N(c3ccc(C(=O)NO)cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(c1ccc(cc1)C(=O)NO)[S](=O)(=O)c2sc(cc2)c3ccccn3 |
SMILES | CACTVS | 3.341 | CN(c1ccc(cc1)C(=O)NO)[S](=O)(=O)c2sc(cc2)c3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3 |
InChI | InChI | 1.03 | InChI=1S/C17H15N3O4S2/c1-20(13-7-5-12(6-8-13)17(21)19-22)26(23,24)16-10-9-15(25-16)14-4-2-3-11-18-14/h2-11,22H,1H3,(H,19,21) |
InChIKey | InChI | 1.03 | LFGYSFPVLMPUPE-UHFFFAOYSA-N |