3,5-ditert-butyl-N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]benzenecarbothioamide

Systemtic Name: 3,5-ditert-butyl-N-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]benzenecarbothioamide Openeye Name: 3,5-ditert-butyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenecarbothioamide CAS Name: 3,5-ditert-butyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenecarbothioamide IUPAC Name: 3,5-ditert-butyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenecarbothioamide Traditional Name: 3,5-ditert-butyl-N-[4-fluoro-3-(trifluoromethyl)benzyl]thiobenzamide Formula: C23H27F4NS MolecularWeight: 425.525793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=S)NCC2=CC(=C(C=C2)F)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=S)NCC2=CC(=C(C=C2)F)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C23H27F4NS/c1-21(2,3)16-10-15(11-17(12-16)22(4,5)6)20(29)28-13-14-7-8-19(24)18(9-14)23(25,26)27/h7-12H,13H2,1-6H3,(H,28,29)