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

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-methylsulfanylphenyl)ethanediamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-N'-(3-methylsulfanylphenyl)oxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-N'-[3-(methylthio)phenyl]oxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-N'-[3-(methylthio)phenyl]oxamide Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)SC)C3=CSC=C3

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)SC)C3=CSC=C3

InChI

InChI=1S/C20H26N4O2S2/c1-23-7-9-24(10-8-23)18(15-6-11-28-14-15)13-21-19(25)20(26)22-16-4-3-5-17(12-16)27-2/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,21,25)(H,22,26)