Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23) |
InChIKey | InChI | 1.06 | UFPZSUZTGMULLK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc12 |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)Nc3cc(ncn3)SCc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2N(C1=O)C)Nc3cc(ncn3)SCc4ccccc4 |