1-[4-(phenylmethyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propane-2-thiol

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propane-2-thiol Openeye Name: 1-(2-allylphenoxy)-3-(4-benzylpiperazin-1-yl)propane-2-thiol CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-(2-prop-2-enylphenoxy)-2-propanethiol IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propane-2-thiol Traditional Name: 1-(2-allylphenoxy)-3-(4-benzylpiperazino)propane-2-thiol Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC=CC=C3)S

Isomeric SMILES

C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC=CC=C3)S

InChI

InChI=1S/C23H30N2OS/c1-2-8-21-11-6-7-12-23(21)26-19-22(27)18-25-15-13-24(14-16-25)17-20-9-4-3-5-10-20/h2-7,9-12,22,27H,1,8,13-19H2