| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(=O)(NS(c1sc(CC(C)C)cc1)(=O)=O)Nc2sc(Br)cn2 |
| InChI | InChI | 1.03 | InChI=1S/C12H14BrN3O3S3/c1-7(2)5-8-3-4-10(20-8)22(18,19)16-11(17)15-12-14-6-9(13)21-12/h3-4,6-7H,5H2,1-2H3,(H2,14,15,16,17) |
| InChIKey | InChI | 1.03 | ZCLMGAPJJHGZCV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Cc1sc(cc1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2 |
| SMILES | CACTVS | 3.385 | CC(C)Cc1sc(cc1)[S](=O)(=O)NC(=O)Nc2sc(Br)cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br |
