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

Systemtic Name: 1-[4-[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]piperazino]phenyl]ethanone Formula: C23H24ClN3OS MolecularWeight: 425.97416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C23H24ClN3OS/c1-16(28)17-3-6-20(7-4-17)27-11-9-26(10-12-27)15-19-13-18-5-8-21(29-2)14-22(18)25-23(19)24/h3-8,13-14H,9-12,15H2,1-2H3