N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-3-yl]methyl]-N-(3-methoxypropyl)-4-methyl-benzamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-3-yl]methyl]-N-(3-methoxypropyl)-4-methyl-benzamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-3-quinolyl]methyl]-N-(3-methoxypropyl)-4-methyl-benzamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolinyl]methyl]-N-(3-methoxypropyl)-4-methylbenzamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-3-yl]methyl]-N-(3-methoxypropyl)-4-methylbenzamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolyl]methyl]-N-(3-methoxypropyl)-4-methyl-benzamide Formula: C25H31N3O2S MolecularWeight: 437.59754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCOC)CC2=C(N=C3C=C(C=CC3=C2)SC)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCOC)CC2=C(N=C3C=C(C=CC3=C2)SC)N(C)C

InChI

InChI=1S/C25H31N3O2S/c1-18-7-9-19(10-8-18)25(29)28(13-6-14-30-4)17-21-15-20-11-12-22(31-5)16-23(20)26-24(21)27(2)3/h7-12,15-16H,6,13-14,17H2,1-5H3