Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccccc1c2ccc(cc2)NC(=O)c4conc4c3cc(ccc3)C(=[N@H])N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1cccc(c1)c2nocc2C(=O)Nc3ccc(cc3)c4ccccc4[S](N)(=O)=O |
SMILES | CACTVS | 3.370 | NC(=N)c1cccc(c1)c2nocc2C(=O)Nc3ccc(cc3)c4ccccc4[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)c2ccc(cc2)NC(=O)c3conc3c4cccc(c4)C(=N)N)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31) |
InChIKey | InChI | 1.03 | LPYBKEFBMJIVEB-UHFFFAOYSA-N |