(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2,5-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2,5-dimethoxyphenyl)acrylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-27-16-9-10-20(28-2)15(14-16)8-11-21(26)23-19(12-13-29-3)22-24-17-6-4-5-7-18(17)25-22/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/b11-8+