(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3,4-diethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3,4-diethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3,4-diethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3,4-diethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3,4-diethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3,4-diethoxyphenyl)acrylamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C24H29N3O3S/c1-4-29-21-12-10-17(16-22(21)30-5-2)11-13-23(28)25-20(14-15-31-3)24-26-18-8-6-7-9-19(18)27-24/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,25,28)(H,26,27)/b13-11+