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

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-ethoxy-4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-ethoxy-4-methoxy-phenyl)acrylamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-4-29-21-15-16(9-11-20(21)28-2)10-12-22(27)24-19(13-14-30-3)23-25-17-7-5-6-8-18(17)26-23/h5-12,15,19H,4,13-14H2,1-3H3,(H,24,27)(H,25,26)/b12-10+