Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H24F2N2O2S/c1-27-14-3-4-19-16(9-14)21(29-12-13-5-7-25-8-6-13)17-10-15(28-2)11-18(22(23)24)20(17)26-19/h3-4,9-11,13,22,25H,5-8,12H2,1-2H3 |
InChIKey | InChI | 1.03 | SGQDLYHYSRLRJV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1)C(F)F |
SMILES | CACTVS | 3.385 | COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1)C(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4 |