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

Systemtic Name: N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]furan-2-carboxamide Openeye Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylsulfanyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide Traditional Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylthio]phenyl]-2-furamide Formula: C21H18BrFN2O3S MolecularWeight: 477.346623

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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=CO3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H18BrFN2O3S/c1-2-19(21(27)25-17-9-8-13(22)11-16(17)23)29-15-6-3-5-14(12-15)24-20(26)18-7-4-10-28-18/h3-12,19H,2H2,1H3,(H,24,26)(H,25,27)