| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C(C(=O)OC)CCC(C1)CNCc3cc(c2ccsc2)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H25NO2S/c1-23-20(22)17-7-5-15(6-8-17)12-21-13-16-3-2-4-18(11-16)19-9-10-24-14-19/h2-4,9-11,14-15,17,21H,5-8,12-13H2,1H3/t15-,17+ |
| InChIKey | InChI | 1.03 | YJJNZSNCUYMDTL-WOVMCDHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H]1CC[C@H](CC1)CNCc2cccc(c2)c3cscc3 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1CC[CH](CC1)CNCc2cccc(c2)c3cscc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COC(=O)C1CCC(CC1)CNCc2cccc(c2)c3ccsc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | COC(=O)C1CCC(CC1)CNCc2cccc(c2)c3ccsc3 |
