| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc4cccc(C1=NN2C(=O)C=C(N=C2S1)N3CCNCC3)c4)CN |
| InChI | InChI | 1.03 | InChI=1S/C17H19N7O2S/c18-10-14(25)20-12-3-1-2-11(8-12)16-22-24-15(26)9-13(21-17(24)27-16)23-6-4-19-5-7-23/h1-3,8-9,19H,4-7,10,18H2,(H,20,25) |
| InChIKey | InChI | 1.03 | ITNCYPYTFKVCFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCC(=O)Nc1cccc(c1)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4 |
| SMILES | CACTVS | 3.370 | NCC(=O)Nc1cccc(c1)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4 |
