| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3(N(C(c2nc(SCCN1CCS(CC1)(=O)=O)nc2N3C)=O)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H19N5O4S2/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)23-6-3-18-4-7-24(21,22)8-5-18/h3-8H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | YPZHYYKYMSTZFD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CC[S](=O)(=O)CC3 |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2nc([nH]c2C1=O)SCCN3CC[S](=O)(=O)CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C |
