| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1COCCN1CCSC3NC2=C(C(N(C(=O)N2C)C)=S)N3 |
| InChI | InChI | 1.03 | InChI=1S/C13H21N5O2S2/c1-16-10-9(11(21)17(2)13(16)19)14-12(15-10)22-8-5-18-3-6-20-7-4-18/h12,14-15H,3-8H2,1-2H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | IDPRQIKRJXLJTP-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)C2=C(N[C@@H](N2)SCCN3CCOCC3)C1=S |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)C2=C(N[CH](N2)SCCN3CCOCC3)C1=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C2=C(C(=S)N(C1=O)C)NC(N2)SCCN3CCOCC3 |
