N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-3-yl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-3-yl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-3-quinolyl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolinyl]methyl]-N-(3-methoxypropyl)-2-thiophenecarboxamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-3-yl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolyl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C=CC(=CC2=N1)SC)CN(CCCOC)C(=O)C3=CC=CS3

Isomeric SMILES

CN(C)C1=C(C=C2C=CC(=CC2=N1)SC)CN(CCCOC)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O2S2/c1-24(2)21-17(13-16-8-9-18(28-4)14-19(16)23-21)15-25(10-6-11-27-3)22(26)20-7-5-12-29-20/h5,7-9,12-14H,6,10-11,15H2,1-4H3