| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(NC(=O)OCCCC)c1sc(cc1c1ccc(Cn2c3nc(C)cc(C)c3nc2CC)cc1)CC(C)C |
| InChI | InChI | 1.06 | InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35) |
| InChIKey | InChI | 1.06 | RINPELQWLUGERM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOC(=O)N[S](=O)(=O)c1sc(CC(C)C)cc1c2ccc(Cn3c(CC)nc4c(C)cc(C)nc34)cc2 |
| SMILES | CACTVS | 3.385 | CCCCOC(=O)N[S](=O)(=O)c1sc(CC(C)C)cc1c2ccc(Cn3c(CC)nc4c(C)cc(C)nc34)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCOC(=O)NS(=O)(=O)c1c(cc(s1)CC(C)C)c2ccc(cc2)Cn3c(nc4c3nc(cc4C)C)CC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCOC(=O)NS(=O)(=O)c1c(cc(s1)CC(C)C)c2ccc(cc2)Cn3c(nc4c3nc(cc4C)C)CC |
