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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNC(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C23H22N4O4S/c28-22(23(29)25-18-7-9-19(10-8-18)27(30)31)24-14-20(21-6-3-13-32-21)26-12-11-16-4-1-2-5-17(16)15-26/h1-10,13,20H,11-12,14-15H2,(H,24,28)(H,25,29)/t20-/m0/s1