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

Systemtic Name: N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylsulfanyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propylthio]phenyl]-3,4-dimethoxy-benzamide Formula: C25H24BrFN2O4S MolecularWeight: 547.436463

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrFN2O4S/c1-4-23(25(31)29-20-10-9-16(26)13-19(20)27)34-18-7-5-6-17(14-18)28-24(30)15-8-11-21(32-2)22(12-15)33-3/h5-14,23H,4H2,1-3H3,(H,28,30)(H,29,31)