| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(C1)C(=O)C1SCc2cccnc12 |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O2S/c15-13(18)9-4-2-6-17(7-9)14(19)12-11-10(8-20-12)3-1-5-16-11/h1,3,5,9,12H,2,4,6-8H2,(H2,15,18)/t9-,12+/m0/s1 |
| InChIKey | InChI | 1.06 | VXTCJEPNAMERNR-JOYOIKCWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2SCc3cccnc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)[CH]2SCc3cccnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(nc1)[C@@H](SC2)C(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(nc1)C(SC2)C(=O)N3CCCC(C3)C(=O)N |
