Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1cc(c(O)cc1)C(=O)NCc1cc(ccc1)Nc1nc(cs1)CC(=O)O |
InChI | InChI | 1.06 | InChI=1S/C19H16BrN3O4S/c20-12-4-5-16(24)15(7-12)18(27)21-9-11-2-1-3-13(6-11)22-19-23-14(10-28-19)8-17(25)26/h1-7,10,24H,8-9H2,(H,21,27)(H,22,23)(H,25,26) |
InChIKey | InChI | 1.06 | CANFWKOSIVKKCK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1csc(Nc2cccc(CNC(=O)c3cc(Br)ccc3O)c2)n1 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1csc(Nc2cccc(CNC(=O)c3cc(Br)ccc3O)c2)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Nc2nc(cs2)CC(=O)O)CNC(=O)c3cc(ccc3O)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Nc2nc(cs2)CC(=O)O)CNC(=O)c3cc(ccc3O)Br |