Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1 |
InChI | InChI | 1.06 | InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29) |
InChIKey | InChI | 1.06 | VEPQAUCCEYXBOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34 |
SMILES | CACTVS | 3.385 | CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 |