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

Systemtic Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(4-aminophenyl)-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(4-aminophenyl)-4-[2-(4-phenylpiperazino)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Formula: C27H30N4S MolecularWeight: 442.6189

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=S)C4=CC=C(C=C4)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=S)C4=CC=C(C=C4)N)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4S/c28-21-12-10-20(11-13-21)26-24-9-5-4-8-23(24)25(27(32)29-26)14-15-30-16-18-31(19-17-30)22-6-2-1-3-7-22/h1-13,25-26H,14-19,28H2,(H,29,32)