Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | s1cccc1C(=[N@H])Nc2cccc(c2)CCNCc3cc(ccc3)NC(=[N@H])c4sccc4 |
InChI | InChI | 1.03 | InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30) |
InChIKey | InChI | 1.03 | XOPUOZGTJJXXTH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4 |
SMILES | CACTVS | 3.370 | N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=N)c2cccs2)CCNCc3cccc(c3)NC(=N)c4cccs4 |