| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cc(Br)ccc1SC)N1CC(CCC1C)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H21BrN2O2S/c1-10-3-4-11(16(18)21)9-19(10)15(20)8-12-7-13(17)5-6-14(12)22-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,18,21)/t10-,11-/m0/s1 |
| InChIKey | InChI | 1.06 | FMBXRAUPCZLXGY-QWRGUYRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(Br)cc1CC(=O)N2C[C@@H](CC[C@@H]2C)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccc(Br)cc1CC(=O)N2C[CH](CC[CH]2C)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1CC[C@H](CN1C(=O)Cc2cc(ccc2SC)Br)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCC(CN1C(=O)Cc2cc(ccc2SC)Br)C(=O)N |
