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

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-nitrophenyl)ethanediamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-N'-(3-nitrophenyl)oxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-N'-(3-nitrophenyl)oxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N'-(3-nitrophenyl)oxamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-N'-(3-nitrophenyl)oxamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C19H23N5O4S/c1-22-6-8-23(9-7-22)17(14-5-10-29-13-14)12-20-18(25)19(26)21-15-3-2-4-16(11-15)24(27)28/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,20,25)(H,21,26)