| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(C1C(CNC1)c3cc2N=CNC(=O)c2cc3)c4ccc(Br)s4 |
| InChI | InChI | 1.03 | InChI=1S/C17H14BrN3O2S/c18-15-4-3-14(24-15)16(22)12-7-19-6-11(12)9-1-2-10-13(5-9)20-8-21-17(10)23/h1-5,8,11-12,19H,6-7H2,(H,20,21,23)/t11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | ZYTJGVHIDBAIRI-NEPJUHHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1sc(cc1)C(=O)[C@H]2CNC[C@@H]2c3ccc4C(=O)NC=Nc4c3 |
| SMILES | CACTVS | 3.385 | Brc1sc(cc1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C3CNCC3C(=O)c4ccc(s4)Br)N=CNC2=O |
