2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-chloro-7-(methylthio)-3-quinolyl]methyl-methyl-amino]-N-(p-tolyl)acetamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-14-4-7-17(8-5-14)23-20(26)13-25(2)12-16-10-15-6-9-18(27-3)11-19(15)24-21(16)22/h4-11H,12-13H2,1-3H3,(H,23,26)