| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(Cl)nc1C)Nc4cccc(Oc3ccc(NC(=O)C(/C#N)=C(\O)C2CC2)cc3)c4 |
| InChI | InChI | 1.03 | InChI=1S/C24H19ClN4O4S/c1-13-21(34-24(25)27-13)23(32)29-16-3-2-4-18(11-16)33-17-9-7-15(8-10-17)28-22(31)19(12-26)20(30)14-5-6-14/h2-4,7-11,14,30H,5-6H2,1H3,(H,28,31)(H,29,32)/b20-19- |
| InChIKey | InChI | 1.03 | LSKVCRHBWSIYNZ-VXPUYCOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(Cl)sc1C(=O)Nc2cccc(Oc3ccc(NC(=O)\C(C#N)=C(/O)C4CC4)cc3)c2 |
| SMILES | CACTVS | 3.385 | Cc1nc(Cl)sc1C(=O)Nc2cccc(Oc3ccc(NC(=O)C(C#N)=C(O)C4CC4)cc3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)C(=C(C4CC4)O)C#N |
