2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]ethanamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]ethanamide Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]acetamide Formula: C23H28F3N3O3S MolecularWeight: 483.54693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H28F3N3O3S/c1-15-6-7-16(22(2,3)4)13-20(15)33-14-21(30)28-11-5-10-27-18-9-8-17(23(24,25)26)12-19(18)29(31)32/h6-9,12-13,27H,5,10-11,14H2,1-4H3,(H,28,30)