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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-nitrophenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-nitrophenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2-nitrophenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-nitrophenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-nitrophenyl)oxamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c25-19(20(26)22-16-7-3-4-8-17(16)24(27)28)21-13-18(15-9-12-29-14-15)23-10-5-1-2-6-11-23/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,21,25)(H,22,26)