1-(3-azanyl-5-chloranyl-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione

Systemtic Name: 1-(3-azanyl-5-chloranyl-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(3-amino-5-chloro-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(3-amino-5-chlorophenyl)-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(3-amino-5-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(3-amino-5-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(=CC(=C4)Cl)N)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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