2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethanethioamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethanethioamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)thioacetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethanethioamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethanethioamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)thioacetamide Formula: C14H19N3O2S MolecularWeight: 293.38456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C(=S)N

Isomeric SMILES

CN1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C(=S)N

InChI

InChI=1S/C14H19N3O2S/c1-16-4-6-17(7-5-16)13(14(15)20)10-2-3-11-12(8-10)19-9-18-11/h2-3,8,13H,4-7,9H2,1H3,(H2,15,20)