| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CSc3cc(C#Cc2cccc(NC(=O)CNCCNC)c2)ccc3C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(C(O)=O)c(SCc3ccc(Cl)c(Cl)c3)c2 |
| SMILES | CACTVS | 3.370 | CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(C(O)=O)c(SCc3ccc(Cl)c(Cl)c3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C27H25Cl2N3O3S/c1-30-11-12-31-16-26(33)32-21-4-2-3-18(13-21)5-6-19-7-9-22(27(34)35)25(15-19)36-17-20-8-10-23(28)24(29)14-20/h2-4,7-10,13-15,30-31H,11-12,16-17H2,1H3,(H,32,33)(H,34,35) |
| InChIKey | InChI | 1.03 | ZFBIDSCNZFTQMQ-UHFFFAOYSA-N |
