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

Systemtic Name: N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylthio]phenyl]-3-nitro-benzamide Formula: C23H19BrFN3O4S MolecularWeight: 532.382063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrFN3O4S/c1-2-21(23(30)27-20-10-9-15(24)12-19(20)25)33-18-8-4-6-16(13-18)26-22(29)14-5-3-7-17(11-14)28(31)32/h3-13,21H,2H2,1H3,(H,26,29)(H,27,30)