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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(4-fluoranyl-3-nitro-phenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(4-fluoro-3-nitro-phenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(4-fluoro-3-nitro-phenyl)oxamide Formula: C20H23FN4O4S MolecularWeight: 434.484423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C20H23FN4O4S/c21-16-6-5-15(11-17(16)25(28)29)23-20(27)19(26)22-12-18(14-7-10-30-13-14)24-8-3-1-2-4-9-24/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,26)(H,23,27)