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

Systemtic Name: (E)-3-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]prop-2-enamide Openeye Name: (E)-3-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]prop-2-enamide CAS Name: (E)-3-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-propenamide IUPAC Name: (E)-3-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]prop-2-enamide Traditional Name: (E)-3-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]acrylamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H24N4O2S/c1-15(27)23-17-10-7-16(8-11-17)9-12-21(28)24-20(13-14-29-2)22-25-18-5-3-4-6-19(18)26-22/h3-12,20H,13-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/b12-9+