1-(2-prop-2-enylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-2-thiol

Systemtic Name: 1-(2-prop-2-enylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-2-thiol Openeye Name: 1-(2-allylphenoxy)-3-[4-(2-pyridyl)piperazin-1-yl]propane-2-thiol CAS Name: 1-(2-prop-2-enylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanethiol IUPAC Name: 1-(2-prop-2-enylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-2-thiol Traditional Name: 1-(2-allylphenoxy)-3-[4-(2-pyridyl)piperazino]propane-2-thiol Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)S

Isomeric SMILES

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)S

InChI

InChI=1S/C21H27N3OS/c1-2-7-18-8-3-4-9-20(18)25-17-19(26)16-23-12-14-24(15-13-23)21-10-5-6-11-22-21/h2-6,8-11,19,26H,1,7,12-17H2