N1-[4-[1-bromanyl-1,1,2,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-chloranyl-N2-[(2S)-1-methylsulfanylpropan-2-yl]benzene-1,2-dicarboxamide

Systemtic Name: N1-[4-[1-bromanyl-1,1,2,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-chloranyl-N2-[(2S)-1-methylsulfanylpropan-2-yl]benzene-1,2-dicarboxamide Openeye Name: N1-[4-[1-[bromo(difluoro)methyl]-1,2,2,2-tetrafluoro-ethyl]-2-methyl-phenyl]-3-chloro-N2-[(1S)-1-methyl-2-methylsulfanyl-ethyl]phthalamide CAS Name: N1-[4-(1-bromo-1,1,2,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-3-chloro-N2-[(2S)-1-(methylthio)propan-2-yl]benzene-1,2-dicarboxamide IUPAC Name: 1-N-[4-(1-bromo-1,1,2,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-3-chloro-2-N-[(2S)-1-methylsulfanylpropan-2-yl]benzene-1,2-dicarboxamide Traditional Name: N-[4-[1-[bromo(difluoro)methyl]-1,2,2,2-tetrafluoro-ethyl]-2-methyl-phenyl]-3-chloro-N'-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide Formula: C22H20BrClF6N2O2S MolecularWeight: 605.818819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)Br)F)NC(=O)C2=C(C(=CC=C2)Cl)C(=O)NC(C)CSC

Isomeric SMILES

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)Br)F)NC(=O)C2=C(C(=CC=C2)Cl)C(=O)N[C@@H](C)CSC

InChI

InChI=1S/C22H20BrClF6N2O2S/c1-11-9-13(20(25,21(23,26)27)22(28,29)30)7-8-16(11)32-18(33)14-5-4-6-15(24)17(14)19(34)31-12(2)10-35-3/h4-9,12H,10H2,1-3H3,(H,31,34)(H,32,33)/t12-,20?/m0/s1