2-fluoranyl-N-[4-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide Openeye Name: 2-fluoro-N-[4-[1-methyl-2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 2-fluoro-N-[4-[[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[1-(2-methyl-4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[2-keto-1-methyl-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]benzamide Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H20FN3O4S/c1-14-13-17(27(30)31)9-12-21(14)26-22(28)15(2)32-18-10-7-16(8-11-18)25-23(29)19-5-3-4-6-20(19)24/h3-13,15H,1-2H3,(H,25,29)(H,26,28)