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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-nitrophenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-nitrophenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(3-nitrophenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-nitrophenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-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)22-16-6-5-7-17(12-16)24(27)28)21-13-18(15-8-11-29-14-15)23-9-3-1-2-4-10-23/h5-8,11-12,14,18H,1-4,9-10,13H2,(H,21,25)(H,22,26)