1-isoquinolin-5-yloxy-3-[4-[2-(phenylmethylsulfanyl)phenyl]piperazin-1-yl]propan-2-ol

Systemtic Name: 1-isoquinolin-5-yloxy-3-[4-[2-(phenylmethylsulfanyl)phenyl]piperazin-1-yl]propan-2-ol Openeye Name: 1-[4-(2-benzylsulfanylphenyl)piperazin-1-yl]-3-(5-isoquinolyloxy)propan-2-ol CAS Name: 1-(5-isoquinolinyloxy)-3-[4-[2-(phenylmethylthio)phenyl]-1-piperazinyl]-2-propanol IUPAC Name: 1-[4-(2-benzylsulfanylphenyl)piperazin-1-yl]-3-isoquinolin-5-yloxypropan-2-ol Traditional Name: 1-[4-[2-(benzylthio)phenyl]piperazino]-3-(5-isoquinolyloxy)propan-2-ol Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CN=C3)O)C4=CC=CC=C4SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CN=C3)O)C4=CC=CC=C4SCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2S/c33-25(21-34-28-11-6-9-24-19-30-14-13-26(24)28)20-31-15-17-32(18-16-31)27-10-4-5-12-29(27)35-22-23-7-2-1-3-8-23/h1-14,19,25,33H,15-18,20-22H2