Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H26F3N5O2S/c1-4-13-16(12(3)29)11(2)26-17(13)14-10-31-19(27-14)28-8-7-24-9-15(28)18(30)25-6-5-20(21,22)23/h10,15,24,26H,4-9H2,1-3H3,(H,25,30)/t15-/m1/s1 |
InChIKey | InChI | 1.06 | PLKCLYWKGAEBFY-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C@@H]3C(=O)NCCC(F)(F)F |
SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2csc(n2)N3CCNC[C@@H]3C(=O)NCCC(F)(F)F)C)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCCC(F)(F)F)C)C(=O)C |