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

Systemtic Name: 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-phenyl-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-phenyl-4-[2-(4-phenylpiperazino)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Formula: C27H29N3S MolecularWeight: 427.60426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3S/c31-27-25(15-16-29-17-19-30(20-18-29)22-11-5-2-6-12-22)23-13-7-8-14-24(23)26(28-27)21-9-3-1-4-10-21/h1-14,25-26H,15-20H2,(H,28,31)