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

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-26-16-10-7-15(8-11-16)9-12-20(25)22-19(13-14-27-2)21-23-17-5-3-4-6-18(17)24-21/h3-12,19H,13-14H2,1-2H3,(H,22,25)(H,23,24)/b12-9+