| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccccc1C(Oc2c(C(=O)N)ccc(c2)c4cc(c3scc(c3)CN(C)C)cnc4N)C |
| InChI | InChI | 1.03 | InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | DNZGEPPZYMAFLN-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1cc(ccc1C(N)=O)c2cc(cnc2N)c3scc(CN(C)C)c3)c4ccccc4C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH](Oc1cc(ccc1C(N)=O)c2cc(cnc2N)c3scc(CN(C)C)c3)c4ccccc4C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C |
