N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[2-(phenylthio)ethyl]-1-piperazinyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[2-(phenylthio)ethyl]piperazino]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)CCSC4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)CCSC4=CC=CC=C4)OCO2

InChI

InChI=1S/C23H27N3O4S/c1-17(27)19-13-21-22(30-16-29-21)14-20(19)24-23(28)15-26-9-7-25(8-10-26)11-12-31-18-5-3-2-4-6-18/h2-6,13-14H,7-12,15-16H2,1H3,(H,24,28)