(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylamide Formula: C23H26ClN3O3S MolecularWeight: 459.98884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C23H26ClN3O3S/c1-4-30-22-16(24)13-15(14-20(22)29-2)9-10-21(28)25-19(11-12-31-3)23-26-17-7-5-6-8-18(17)27-23/h5-10,13-14,19H,4,11-12H2,1-3H3,(H,25,28)(H,26,27)/b10-9+