| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc2ccc(SCC(=O)NC(C(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)Nc1ccc(C[C@H](NC(=O)CSc2ccc(Cl)cc2)C(N)=O)cc1 |
| SMILES | CACTVS | 3.341 | NC(=N)Nc1ccc(C[CH](NC(=O)CSc2ccc(Cl)cc2)C(N)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)Nc1ccc(cc1)CC(C(=O)N)NC(=O)CSc2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | IEEYGOJDTRVYGR-HNNXBMFYSA-N |
