1-(2,3-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]methanamine

Systemtic Name: 1-(2,3-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]methanamine Openeye Name: 1-(2,3-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]methanamine CAS Name: 1-(2,3-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]methanamine IUPAC Name: 1-(2,3-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]methanamine Traditional Name: [2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl-o-veratryl-amine Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CNCC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C27H28N2O3S/c1-30-22-11-8-18(9-12-22)26-21(14-19-10-13-23(33-4)15-24(19)29-26)17-28-16-20-6-5-7-25(31-2)27(20)32-3/h5-15,28H,16-17H2,1-4H3