Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cccc(c1)C(NC(C)(C(Nc2nncs2)=O)C)=O)c3cc5c(cc3)oc(c4ccc(cc4)F)c5C(NC)=O |
InChI | InChI | 1.03 | InChI=1S/C29H24FN5O4S/c1-29(2,27(38)33-28-35-32-15-40-28)34-25(36)19-6-4-5-17(13-19)18-9-12-22-21(14-18)23(26(37)31-3)24(39-22)16-7-10-20(30)11-8-16/h4-15H,1-3H3,(H,31,37)(H,34,36)(H,33,35,38) |
InChIKey | InChI | 1.03 | XZMBOYQAHQFYNQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1c(oc2ccc(cc12)c3cccc(c3)C(=O)NC(C)(C)C(=O)Nc4scnn4)c5ccc(F)cc5 |
SMILES | CACTVS | 3.385 | CNC(=O)c1c(oc2ccc(cc12)c3cccc(c3)C(=O)NC(C)(C)C(=O)Nc4scnn4)c5ccc(F)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC |