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

Systemtic Name: N-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine Openeye Name: N-[[2-(2-chloroallyloxy)-7-methylsulfanyl-3-quinolyl]methyl]-1-(2-methylthiazol-4-yl)ethanamine CAS Name: N-[[2-(2-chloroprop-2-enoxy)-7-(methylthio)-3-quinolinyl]methyl]-1-(2-methyl-4-thiazolyl)ethanamine IUPAC Name: N-[[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine Traditional Name: [2-(2-chloroallyloxy)-7-(methylthio)-3-quinolyl]methyl-[1-(2-methylthiazol-4-yl)ethyl]amine Formula: C20H22ClN3OS2 MolecularWeight: 419.99118

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS2/c1-12(21)10-25-20-16(9-22-13(2)19-11-27-14(3)23-19)7-15-5-6-17(26-4)8-18(15)24-20/h5-8,11,13,22H,1,9-10H2,2-4H3