4-fluoranyl-N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 4-fluoro-N-[3-[1-[(2-methyl-5-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 4-fluoro-N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 4-fluoro-N-[3-[1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 4-fluoro-N-[3-[1-[(2-methyl-5-nitro-phenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C24H22FN3O4S MolecularWeight: 467.512583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O4S/c1-3-22(24(30)27-21-14-19(28(31)32)12-7-15(21)2)33-20-6-4-5-18(13-20)26-23(29)16-8-10-17(25)11-9-16/h4-14,22H,3H2,1-2H3,(H,26,29)(H,27,30)