| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCSc2nc1ccccc1n2Cc3c4c(cccc4sc3)C |
| InChI | InChI | 1.03 | InChI=1S/C21H20N2O2S2/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22-21(23)26-11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25) |
| InChIKey | InChI | 1.03 | YSOMBHFITHOMPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c12 |
| SMILES | CACTVS | 3.370 | Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O |
