2-fluoranyl-N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 2-fluoro-N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 2-fluoro-N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 2-fluoro-N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 2-fluoro-N-[3-[1-[(4-nitrophenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H20FN3O4S/c1-2-21(23(29)25-15-10-12-17(13-11-15)27(30)31)32-18-7-5-6-16(14-18)26-22(28)19-8-3-4-9-20(19)24/h3-14,21H,2H2,1H3,(H,25,29)(H,26,28)