2-(2-fluorophenyl)sulfanyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-nitro-benzamide

Systemtic Name: 2-(2-fluorophenyl)sulfanyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-nitro-benzamide Openeye Name: 2-(2-fluorophenyl)sulfanyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-nitro-benzamide CAS Name: 2-[(2-fluorophenyl)thio]-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(2-fluorophenyl)sulfanyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-nitrobenzamide Traditional Name: 2-[(2-fluorophenyl)thio]-N-[3-(isobutyrylamino)benzyl]-5-nitro-benzamide Formula: C24H22FN3O4S MolecularWeight: 467.512583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C24H22FN3O4S/c1-15(2)23(29)27-17-7-5-6-16(12-17)14-26-24(30)19-13-18(28(31)32)10-11-21(19)33-22-9-4-3-8-20(22)25/h3-13,15H,14H2,1-2H3,(H,26,30)(H,27,29)