| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccsc1C#N)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H15N3O2S/c14-7-11-9(3-5-19-11)6-12(17)16-4-1-2-10(8-16)13(15)18/h3,5,10H,1-2,4,6,8H2,(H2,15,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | AQMCQXPYDBYMNV-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccsc2C#N |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccsc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1csc(c1CC(=O)N2CCC[C@@H](C2)C(=O)N)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1csc(c1CC(=O)N2CCCC(C2)C(=O)N)C#N |
