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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: N-[3-(phenylthio)propyl]-2-(4-piperonylpiperazino)acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCCSC4=CC=CC=C4

InChI

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