N'-(5-chloranyl-2-cyano-phenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(5-chloranyl-2-cyano-phenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(5-chloro-2-cyano-phenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(5-chloro-2-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(5-chloro-2-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(5-chloro-2-cyano-phenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide Formula: C24H21ClN4O2S MolecularWeight: 464.96714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=C(C=CC(=C3)Cl)C#N)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=C(C=CC(=C3)Cl)C#N)C4=CSC=C4

InChI

InChI=1S/C24H21ClN4O2S/c25-20-6-5-17(12-26)21(11-20)28-24(31)23(30)27-13-22(19-8-10-32-15-19)29-9-7-16-3-1-2-4-18(16)14-29/h1-6,8,10-11,15,22H,7,9,13-14H2,(H,27,30)(H,28,31)