A1LVX
Summary
| Name: | Flubendiamide |
| Synonyms: | N1-[4-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-iodanyl-N2-(2-methyl-1-methylsulfonyl-propan-2-yl)benzene-1,2-dicarboxamide |
| Formula: | C23 H22 F7 I N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 682.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}1-[4-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-iodanyl-~{N}2-(2-methyl-1-methylsulfonyl-propan-2-yl)benzene-1,2-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35) |
| InChIKey | InChI | 1.06 | ZGNITFSDLCMLGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)C[S](C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cc(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)C[S](C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1NC(=O)c2cccc(c2C(=O)NC(C)(C)CS(=O)(=O)C)I)C(C(F)(F)F)(C(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1NC(=O)c2cccc(c2C(=O)NC(C)(C)CS(=O)(=O)C)I)C(C(F)(F)F)(C(F)(F)F)F |
