| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(CCN(C(=O)c1ccco1)CC2)C(NCC=3CCCS=3)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H21N3O3S/c19-14(13-4-1-9-21-13)17-5-7-18(8-6-17)15(20)16-11-12-3-2-10-22-12/h1,4,9,22H,2-3,5-8,10-11H2,(H,16,20) |
| InChIKey | InChI | 1.03 | NPFSQHMDDIVZSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC1=[SH]CCC1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES | CACTVS | 3.385 | O=C(NCC1=[SH]CCC1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3 |
