N2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-phenyl]-3-chloranyl-N1-[(2S)-1-methylsulfanylpropan-2-yl]benzene-1,2-dicarboxamide

Systemtic Name: N2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-phenyl]-3-chloranyl-N1-[(2S)-1-methylsulfanylpropan-2-yl]benzene-1,2-dicarboxamide Openeye Name: N2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-phenyl]-3-chloro-N1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]phthalamide CAS Name: N2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]-3-chloro-N1-[(2S)-1-(methylthio)propan-2-yl]benzene-1,2-dicarboxamide IUPAC Name: 2-N-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylphenyl]-3-chloro-1-N-[(2S)-1-methylsulfanylpropan-2-yl]benzene-1,2-dicarboxamide Traditional Name: N'-[4-[3,5-bis(trifluoromethyl)benzyl]-2-methyl-phenyl]-3-chloro-N-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide Formula: C28H25ClF6N2O2S MolecularWeight: 603.018719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=O)C3=C(C=CC=C3Cl)C(=O)NC(C)CSC

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=O)C3=C(C=CC=C3Cl)C(=O)N[C@@H](C)CSC

InChI

InChI=1S/C28H25ClF6N2O2S/c1-15-9-17(10-18-11-19(27(30,31)32)13-20(12-18)28(33,34)35)7-8-23(15)37-26(39)24-21(5-4-6-22(24)29)25(38)36-16(2)14-40-3/h4-9,11-13,16H,10,14H2,1-3H3,(H,36,38)(H,37,39)/t16-/m0/s1