4-ethylsulfanyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methylsulfanyl-1,3-dihydroisoquinoline

Systemtic Name: 4-ethylsulfanyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methylsulfanyl-1,3-dihydroisoquinoline Openeye Name: 4-ethylsulfanyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methylsulfanyl-1,3-dihydroisoquinoline CAS Name: 4-(ethylthio)-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-4-(methylthio)-1,3-dihydroisoquinoline IUPAC Name: 4-ethylsulfanyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methylsulfanyl-1,3-dihydroisoquinoline Traditional Name: 4-(ethylthio)-2-[3-[4-(4-fluorophenyl)piperazino]propyl]-4-(methylthio)-1,3-dihydroisoquinoline Formula: C25H34FN3S2 MolecularWeight: 459.685963

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(CN(CC2=CC=CC=C21)CCCN3CCN(CC3)C4=CC=C(C=C4)F)SC

Isomeric SMILES

CCSC1(CN(CC2=CC=CC=C21)CCCN3CCN(CC3)C4=CC=C(C=C4)F)SC

InChI

InChI=1S/C25H34FN3S2/c1-3-31-25(30-2)20-28(19-21-7-4-5-8-24(21)25)14-6-13-27-15-17-29(18-16-27)23-11-9-22(26)10-12-23/h4-5,7-12H,3,6,13-20H2,1-2H3