2-(3,4-dimethoxyphenyl)-5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-[2-(propylthio)phenyl]-1-piperazinyl]-1-pentanol IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[4-[2-(propylthio)phenyl]piperazino]pentan-1-ol Formula: C26H38N2O3S MolecularWeight: 458.65652

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1N2CCN(CC2)CCCC(CO)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCSC1=CC=CC=C1N2CCN(CC2)CCCC(CO)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H38N2O3S/c1-4-18-32-26-10-6-5-9-23(26)28-16-14-27(15-17-28)13-7-8-22(20-29)21-11-12-24(30-2)25(19-21)31-3/h5-6,9-12,19,22,29H,4,7-8,13-18,20H2,1-3H3