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

Systemtic Name: N'-(4-fluoranyl-3-nitro-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(4-fluoro-3-nitro-phenyl)-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(4-fluoro-3-nitrophenyl)-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(4-fluoro-3-nitrophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(4-fluoro-3-nitro-phenyl)-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]oxamide Formula: C19H22FN5O4S MolecularWeight: 435.472483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O4S/c1-23-5-7-24(8-6-23)17(13-4-9-30-12-13)11-21-18(26)19(27)22-14-2-3-15(20)16(10-14)25(28)29/h2-4,9-10,12,17H,5-8,11H2,1H3,(H,21,26)(H,22,27)