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

Systemtic Name: 2-[(4-chlorophenyl)methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-cyclohexyl-4-methyl-pentanethioamide Openeye Name: 2-[N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)anilino]-N-cyclohexyl-4-methyl-pentanethioamide CAS Name: 2-[N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)anilino]-N-cyclohexyl-4-methylpentanethioamide IUPAC Name: 2-[N-[(4-chlorophenyl)methyl]-2-nitro-4-(trifluoromethyl)anilino]-N-cyclohexyl-4-methylpentanethioamide Traditional Name: 2-[N-(4-chlorobenzyl)-2-nitro-4-(trifluoromethyl)anilino]-N-cyclohexyl-4-methyl-thiovaleramide Formula: C26H31ClF3N3O2S MolecularWeight: 542.05645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NC1CCCCC1)N(CC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=S)NC1CCCCC1)N(CC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C26H31ClF3N3O2S/c1-17(2)14-24(25(36)31-21-6-4-3-5-7-21)32(16-18-8-11-20(27)12-9-18)22-13-10-19(26(28,29)30)15-23(22)33(34)35/h8-13,15,17,21,24H,3-7,14,16H2,1-2H3,(H,31,36)