cyclohexyl-[2-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

Systemtic Name: cyclohexyl-[2-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone Openeye Name: cyclohexyl-[2-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone CAS Name: cyclohexyl-[2-[[4-[2-(methylthio)phenyl]-1-piperazinyl]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone IUPAC Name: cyclohexyl-[2-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone Traditional Name: cyclohexyl-[2-[[4-[2-(methylthio)phenyl]piperazino]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone Formula: C28H37N3OS MolecularWeight: 463.67788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)CC3CCC4=CC=CC=C4N3C(=O)C5CCCCC5

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)CC3CCC4=CC=CC=C4N3C(=O)C5CCCCC5

InChI

InChI=1S/C28H37N3OS/c1-33-27-14-8-7-13-26(27)30-19-17-29(18-20-30)21-24-16-15-22-9-5-6-12-25(22)31(24)28(32)23-10-3-2-4-11-23/h5-9,12-14,23-24H,2-4,10-11,15-21H2,1H3