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

Systemtic Name: N'-(4-fluoranyl-3-nitro-phenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide Openeye Name: N'-(4-fluoro-3-nitro-phenyl)-N-[2-pyrrolidin-1-yl-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(4-fluoro-3-nitrophenyl)-N-[2-(1-pyrrolidinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(4-fluoro-3-nitrophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide Traditional Name: N'-(4-fluoro-3-nitro-phenyl)-N-[2-pyrrolidino-2-(3-thienyl)ethyl]oxamide Formula: C18H19FN4O4S MolecularWeight: 406.431263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C18H19FN4O4S/c19-14-4-3-13(9-15(14)23(26)27)21-18(25)17(24)20-10-16(12-5-8-28-11-12)22-6-1-2-7-22/h3-5,8-9,11,16H,1-2,6-7,10H2,(H,20,24)(H,21,25)