1-[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]piperazino]-2-methyl-propan-1-one Formula: C19H24ClN3OS MolecularWeight: 377.93136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C19H24ClN3OS/c1-13(2)19(24)23-8-6-22(7-9-23)12-15-10-14-4-5-16(25-3)11-17(14)21-18(15)20/h4-5,10-11,13H,6-9,12H2,1-3H3