N-[[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

Systemtic Name: N-[[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine Openeye Name: N-[(2-isobutoxy-7-methylsulfanyl-3-quinolyl)methyl]-1-(2-methylthiazol-4-yl)ethanamine CAS Name: N-[[2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methyl]-1-(2-methyl-4-thiazolyl)ethanamine IUPAC Name: N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine Traditional Name: [2-isobutoxy-7-(methylthio)-3-quinolyl]methyl-[1-(2-methylthiazol-4-yl)ethyl]amine Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(C)NCC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

Isomeric SMILES

CC1=NC(=CS1)C(C)NCC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

InChI

InChI=1S/C21H27N3OS2/c1-13(2)11-25-21-17(10-22-14(3)20-12-27-15(4)23-20)8-16-6-7-18(26-5)9-19(16)24-21/h6-9,12-14,22H,10-11H2,1-5H3