Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc2cc(nc2cc1)C(=O)Nc3ccccc3NC(=O)c4nc5c(s4)CN(CC5)C |
SMILES_CANONICAL | CACTVS | 3.370 | CN1CCc2nc(sc2C1)C(=O)Nc3ccccc3NC(=O)c4[nH]c5ccc(Cl)cc5c4 |
SMILES | CACTVS | 3.370 | CN1CCc2nc(sc2C1)C(=O)Nc3ccccc3NC(=O)c4[nH]c5ccc(Cl)cc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1 |
InChI | InChI | 1.03 | InChI=1S/C23H20ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h2-7,10-11,25H,8-9,12H2,1H3,(H,26,30)(H,27,31) |
InChIKey | InChI | 1.03 | HLZHKMHNSZRIOD-UHFFFAOYSA-N |