(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]acrylamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-4-14-30-21-11-9-17(16-22(21)29-2)10-12-23(28)25-20(13-15-31-3)24-26-18-7-5-6-8-19(18)27-24/h4-12,16,20H,1,13-15H2,2-3H3,(H,25,28)(H,26,27)/b12-10+