| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NO)C1CSCN1S(=O)(N2CCN(CC2)c3c(cc(cc3)C#N)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | UGVOWFLXYXPRQV-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccc1N2CCN(CC2)[S](=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N |
| SMILES | CACTVS | 3.385 | Cc1cc(ccc1N2CCN(CC2)[S](=O)(=O)N3CSC[CH]3C(=O)NO)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSCC3C(=O)NO)C#N |
