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

Systemtic Name: 1-[4-[7-methylsulfanyl-3-[(1-naphthalen-1-ylethylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[7-methylsulfanyl-3-[[1-(1-naphthyl)ethylamino]methyl]-2-quinolyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[7-(methylthio)-3-[[1-(1-naphthalenyl)ethylamino]methyl]-2-quinolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[7-methylsulfanyl-3-[(1-naphthalen-1-ylethylamino)methyl]quinolin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[7-(methylthio)-3-[[1-(1-naphthyl)ethylamino]methyl]-2-quinolyl]piperazino]ethanone Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NCC3=C(N=C4C=C(C=CC4=C3)SC)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NCC3=C(N=C4C=C(C=CC4=C3)SC)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C29H32N4OS/c1-20(26-10-6-8-22-7-4-5-9-27(22)26)30-19-24-17-23-11-12-25(35-3)18-28(23)31-29(24)33-15-13-32(14-16-33)21(2)34/h4-12,17-18,20,30H,13-16,19H2,1-3H3