| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Brc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O |
| SMILES_CANONICAL | CACTVS | 3.341 | Brc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 |
| SMILES | CACTVS | 3.341 | Brc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br |
| InChI | InChI | 1.03 | InChI=1S/C17H13BrN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24) |
| InChIKey | InChI | 1.03 | BDVAWAILQCYMQE-UHFFFAOYSA-N |
