N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]-4-methyl-pentanethioamide

Systemtic Name: N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]-4-methyl-pentanethioamide Openeye Name: N-tert-butyl-2-[N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)anilino]-4-methyl-pentanethioamide CAS Name: N-tert-butyl-2-[N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)anilino]-4-methylpentanethioamide IUPAC Name: N-tert-butyl-2-[N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)anilino]-4-methylpentanethioamide Traditional Name: N-tert-butyl-2-[N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)anilino]-4-methyl-thiovaleramide Formula: C24H29ClF3N3O2S MolecularWeight: 516.01917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NC(C)(C)C)N(CC1=CC=C(C=C1)Cl)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=S)NC(C)(C)C)N(CC1=CC=C(C=C1)Cl)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H29ClF3N3O2S/c1-15(2)12-21(22(34)29-23(3,4)5)30(14-16-6-9-18(25)10-7-16)19-11-8-17(24(26,27)28)13-20(19)31(32)33/h6-11,13,15,21H,12,14H2,1-5H3,(H,29,34)