2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(4-piperonylpiperazino)acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O3S/c1-2-13-30-22-6-4-3-5-19(22)24-23(27)16-26-11-9-25(10-12-26)15-18-7-8-20-21(14-18)29-17-28-20/h2-8,14H,1,9-13,15-17H2,(H,24,27)