N'-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-yl)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]oxamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CSC=C4

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CSC=C4

InChI

InChI=1S/C20H24N4O4S/c1-23-5-7-24(8-6-23)16(14-4-9-29-12-14)11-21-19(25)20(26)22-15-2-3-17-18(10-15)28-13-27-17/h2-4,9-10,12,16H,5-8,11,13H2,1H3,(H,21,25)(H,22,26)