1-(3-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione

Systemtic Name: 1-(3-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(3-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(3-aminophenyl)-4-[2-(4-methyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(3-aminophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(3-aminophenyl)-4-[2-(4-methylpiperazino)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=S)C4=CC(=CC=C4)N

Isomeric SMILES

CN1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=S)C4=CC(=CC=C4)N

InChI

InChI=1S/C22H28N4S/c1-25-11-13-26(14-12-25)10-9-20-18-7-2-3-8-19(18)21(24-22(20)27)16-5-4-6-17(23)15-16/h2-8,15,20-21H,9-14,23H2,1H3,(H,24,27)