(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-bromo-2-fluoro-phenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(5-bromo-2-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(5-bromo-2-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(5-bromo-2-fluoro-phenyl)acrylamide Formula: C20H19BrFN3OS MolecularWeight: 448.351763

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H19BrFN3OS/c1-27-11-10-18(20-24-16-4-2-3-5-17(16)25-20)23-19(26)9-6-13-12-14(21)7-8-15(13)22/h2-9,12,18H,10-11H2,1H3,(H,23,26)(H,24,25)/b9-6+