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

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(5-bromo-2-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(5-bromo-2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(5-bromo-2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(5-bromo-2-methoxy-phenyl)acrylamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H22BrN3O2S/c1-27-19-9-8-15(22)13-14(19)7-10-20(26)23-18(11-12-28-2)21-24-16-5-3-4-6-17(16)25-21/h3-10,13,18H,11-12H2,1-2H3,(H,23,26)(H,24,25)/b10-7+