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

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-p-phenetyl-acrylamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-3-27-17-11-8-16(9-12-17)10-13-21(26)23-20(14-15-28-2)22-24-18-6-4-5-7-19(18)25-22/h4-13,20H,3,14-15H2,1-2H3,(H,23,26)(H,24,25)/b13-10+