4-fluoranyl-N-[4-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 4-fluoranyl-N-[4-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide Openeye Name: 4-fluoro-N-[4-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 4-fluoro-N-[4-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]benzamide IUPAC Name: 4-fluoro-N-[4-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide Traditional Name: 4-fluoro-N-[4-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]benzamide Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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