3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide

Systemtic Name: 3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide Openeye Name: 3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide CAS Name: 3-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]methyl]-N-[(4-fluorophenyl)methyl]benzamide IUPAC Name: 3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]-N-[(4-fluorophenyl)methyl]benzamide Traditional Name: N-(4-fluorobenzyl)-3-[[[2-(pivaloylamino)phenyl]thio]methyl]benzamide Formula: C26H27FN2O2S MolecularWeight: 450.568183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C26H27FN2O2S/c1-26(2,3)25(31)29-22-9-4-5-10-23(22)32-17-19-7-6-8-20(15-19)24(30)28-16-18-11-13-21(27)14-12-18/h4-15H,16-17H2,1-3H3,(H,28,30)(H,29,31)