| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(sccc1)/C(Nc3cc2CCCN(c2cc3)CCN(C)CC)=N |
| InChI | InChI | 1.03 | InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21) |
| InChIKey | InChI | 1.03 | GDMWZTBOBNMXTL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(C)CCN1CCCc2cc(NC(=N)c3sccc3)ccc12 |
| SMILES | CACTVS | 3.385 | CCN(C)CCN1CCCc2cc(NC(=N)c3sccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN(C)CCN1CCCc2c1ccc(c2)NC(=N)c3cccs3 |
