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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(2-methyl-4-nitro-phenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-methyl-4-nitro-phenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(2-methyl-4-nitrophenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methyl-4-nitrophenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(2-methyl-4-nitro-phenyl)oxamide Formula: C21H26N4O4S MolecularWeight: 430.52054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C21H26N4O4S/c1-15-12-17(25(28)29)6-7-18(15)23-21(27)20(26)22-13-19(16-8-11-30-14-16)24-9-4-2-3-5-10-24/h6-8,11-12,14,19H,2-5,9-10,13H2,1H3,(H,22,26)(H,23,27)