N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]cyclopentanamine

Systemtic Name: N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]cyclopentanamine Openeye Name: N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]cyclopentanamine CAS Name: N-[[2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]cyclopentanamine IUPAC Name: N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]cyclopentanamine Traditional Name: cyclopentyl-[[2-(2,5-dimethoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]amine Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=C(C=C3C=CC(=CC3=N2)SC)CNC4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=C(C=C3C=CC(=CC3=N2)SC)CNC4CCCC4

InChI

InChI=1S/C24H28N2O2S/c1-27-19-9-11-23(28-2)21(13-19)24-17(15-25-18-6-4-5-7-18)12-16-8-10-20(29-3)14-22(16)26-24/h8-14,18,25H,4-7,15H2,1-3H3