| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3 |
| InChIKey | InChI | 1.06 | PKXKXYSZKVTBNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5 |
| SMILES | CACTVS | 3.385 | CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc2c1N=C3C(=CC(=CC3=S2)N4CCCC4)C)N5CCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc2c1N=C3C(=CC(=CC3=S2)N4CCCC4)C)N5CCCC5 |
