1-[4-(diphenylmethyl)piperazin-1-yl]-3-quinolin-5-ylsulfanyl-propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-quinolin-5-ylsulfanyl-propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(5-quinolylsulfanyl)propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(5-quinolinylthio)-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-5-ylsulfanylpropan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-(5-quinolylthio)propan-2-ol Formula: C29H31N3OS MolecularWeight: 469.64094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=CC=CC3=C2C=CC=N3)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CSC2=CC=CC3=C2C=CC=N3)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3OS/c33-25(22-34-28-15-7-14-27-26(28)13-8-16-30-27)21-31-17-19-32(20-18-31)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,33H,17-22H2