Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H13Br2N3O3S/c21-13-9-14(23-17(13)22)18(26)24-20-25(10-11-4-2-1-3-5-11)15-7-6-12(19(27)28)8-16(15)29-20/h1-9,23H,10H2,(H,27,28)/b24-20- |
InChIKey | InChI | 1.03 | BDKGNCMGGSFVCT-GFMRDNFCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2N(Cc3ccccc3)C(Sc2c1)=NC(=O)c4[nH]c(Br)c(Br)c4 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc2N(Cc3ccccc3)C(Sc2c1)=NC(=O)c4[nH]c(Br)c(Br)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN\2c3ccc(cc3S/C2=N\C(=O)c4cc(c([nH]4)Br)Br)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2c3ccc(cc3SC2=NC(=O)c4cc(c([nH]4)Br)Br)C(=O)O |