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

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(3-amino-4-chloro-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(3-amino-4-chlorophenyl)-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(3-amino-4-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(3-amino-4-chloro-phenyl)-4-[2-(4-phenylpiperazino)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Formula: C27H29ClN4S MolecularWeight: 477.06396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4S/c28-24-11-10-19(18-25(24)29)26-22-9-5-4-8-21(22)23(27(33)30-26)12-13-31-14-16-32(17-15-31)20-6-2-1-3-7-20/h1-11,18,23,26H,12-17,29H2,(H,30,33)