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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-benzylsulfanylethyl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(4-piperonylpiperazino)acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(24-8-13-30-17-19-4-2-1-3-5-19)16-26-11-9-25(10-12-26)15-20-6-7-21-22(14-20)29-18-28-21/h1-7,14H,8-13,15-18H2,(H,24,27)