N-(3-methylsulfanylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Openeye Name: 3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]-N-(3-methylsulfanylphenyl)benzamide CAS Name: 3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: N-(3-methylsulfanylphenyl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Traditional Name: 3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]-N-[3-(methylthio)phenyl]benzamide Formula: C27H26N2O3S2 MolecularWeight: 490.63694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=CC(=CC=C4)SC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=CC(=CC=C4)SC)S(=O)(=O)C

InChI

InChI=1S/C27H26N2O3S2/c1-27(2,34(4,31)32)21-15-19-10-7-13-28-25(19)24(16-21)18-8-5-9-20(14-18)26(30)29-22-11-6-12-23(17-22)33-3/h5-17H,1-4H3,(H,29,30)