| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m0/s1 |
| InChIKey | InChI | 1.06 | AXUZQJFHDNNPFG-JORPFSLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)CCS[C@@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)CCS[CH](SCCC(O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCS[C@H](c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCSC(c1cccc(c1)C=Cc2ccc3ccc(cc3n2)Cl)SCCC(=O)O |
