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

Systemtic Name: N'-(2-cyanophenyl)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-(2-cyanophenyl)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-(2-cyanophenyl)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-(2-cyanophenyl)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-(2-cyanophenyl)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]oxamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC=CC=C3C#N)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNC(=O)C(=O)NC3=CC=CC=C3C#N)C4=CC=CS4

InChI

InChI=1S/C24H22N4O2S/c25-14-18-7-3-4-9-20(18)27-24(30)23(29)26-15-21(22-10-5-13-31-22)28-12-11-17-6-1-2-8-19(17)16-28/h1-10,13,21H,11-12,15-16H2,(H,26,29)(H,27,30)/t21-/m0/s1