N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(3-nitrophenyl)ethanediamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(3-nitrophenyl)ethanediamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(3-nitrophenyl)oxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N'-(3-nitrophenyl)oxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-(3-nitrophenyl)oxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(3-nitrophenyl)oxamide Formula: C23H22N4O4S MolecularWeight: 450.51018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CSC=C4

InChI

InChI=1S/C23H22N4O4S/c28-22(23(29)25-19-6-3-7-20(12-19)27(30)31)24-13-21(18-9-11-32-15-18)26-10-8-16-4-1-2-5-17(16)14-26/h1-7,9,11-12,15,21H,8,10,13-14H2,(H,24,28)(H,25,29)