| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H28N2O2S/c1-15(2)27-18-5-7-22-20(13-18)23(28-14-16-8-10-24-11-9-16)19-12-17(26-3)4-6-21(19)25-22/h4-7,12-13,15-16,24H,8-11,14H2,1-3H3 |
| InChIKey | InChI | 1.03 | WSFKEKRERBERDM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3ccc(OC(C)C)cc3c(SCC4CCNCC4)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2nc3ccc(OC(C)C)cc3c(SCC4CCNCC4)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4 |
