| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC2C(CCCCC(=O)C34[CH]5=[CH]6[CH]7=[CH]3[Ru]56735674[CH]4=[CH]3[CH]5=[CH]6C47)SCC2N1 |
| InChI | InChI | 1.06 | InChI=1S/C15H19N2O2S.C5H5.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14;1-2-4-5-3-1;/h1-2,5-6,11,13-14H,3-4,7-9H2,(H2,16,17,19);1-5H;/t11-,13-,14-;;/m0../s1 |
| InChIKey | InChI | 1.06 | VBDSISWNIGNXIY-SLGHVJFOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N[C@H]2CS[C@@H](CCCCC(=O)C3([Ru]C4C=CC=C4)C=CC=C3)[C@H]2N1 |
| SMILES | CACTVS | 3.385 | O=C1N[CH]2CS[CH](CCCCC(=O)C3([Ru]C4C=CC=C4)C=CC=C3)[CH]2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34[CH]5=[CH]6[Ru]5378913([CH]6=[CH]74)[CH]4=[CH]8C9[CH]1=[CH]34)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C2C(C(S1)CCCCC(=O)C34[CH]5=[CH]6[Ru]5378913([CH]6=[CH]74)[CH]4=[CH]8C9[CH]1=[CH]34)NC(=O)N2 |
