| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(/c1cc(ccc1)COCC(OCc3cccc(NC(=[N@H])c2sccc2)c3)CN)=C(\N)c4sccc4 |
| InChI | InChI | 1.03 | InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m0/s1 |
| InChIKey | InChI | 1.03 | KEUPBLDQGUHFOB-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H](COCc1cccc(c1)N=C(N)c2sccc2)OCc3cccc(NC(=N)c4sccc4)c3 |
| SMILES | CACTVS | 3.385 | NC[CH](COCc1cccc(c1)N=C(N)c2sccc2)OCc3cccc(NC(=N)c4sccc4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(\c4cccs4)/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=N)c2cccs2)COC(CN)COCc3cccc(c3)N=C(c4cccs4)N |
