| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H28N2O2S/c1-30-21-7-9-25-23(15-21)27(32-18-20-11-13-28-14-12-20)24-16-22(8-10-26(24)29-25)31-17-19-5-3-2-4-6-19/h2-10,15-16,20,28H,11-14,17-18H2,1H3 |
| InChIKey | InChI | 1.03 | IRMHIUWIWIYJIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3ccc(OCc4ccccc4)cc3c(SCC5CCNCC5)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2nc3ccc(OCc4ccccc4)cc3c(SCC5CCNCC5)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5 |
