| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1cccc(c1)CNCCc3ccc(NC(=[N@H])c2sccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(CNCCc2ccc(NC(=N)c3sccc3)cc2)c1 |
| SMILES | CACTVS | 3.341 | Clc1cccc(CNCCc2ccc(NC(=N)c3sccc3)cc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24) |
| InChIKey | InChI | 1.03 | ZZVGLDBDDYESAB-UHFFFAOYSA-N |
