2-(1H-benzimidazol-2-yl)-N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]ethanamine

Systemtic Name: 2-(1H-benzimidazol-2-yl)-N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]ethanamine Openeye Name: 2-(1H-benzimidazol-2-yl)-N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]ethanamine CAS Name: 2-(1H-benzimidazol-2-yl)-N-[[2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]ethanamine IUPAC Name: 2-(1H-benzimidazol-2-yl)-N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]ethanamine Traditional Name: 2-(1H-benzimidazol-2-yl)ethyl-[[2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]amine Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=C(C=C3C=CC(=CC3=N2)SC)CNCCC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=C(C=C3C=CC(=CC3=N2)SC)CNCCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H28N4O2S/c1-33-20-9-11-26(34-2)22(15-20)28-19(14-18-8-10-21(35-3)16-25(18)32-28)17-29-13-12-27-30-23-6-4-5-7-24(23)31-27/h4-11,14-16,29H,12-13,17H2,1-3H3,(H,30,31)