2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-quinolin-3-yl-ethanamide

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-quinolin-3-yl-ethanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-quinolyl)acetamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-quinolinyl)acetamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-quinolin-3-ylacetamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-quinolyl)acetamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=CC4=CC=CC=C4N=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=CC4=CC=CC=C4N=C3)C#N

InChI

InChI=1S/C21H18N4OS/c22-11-16-9-14-5-2-4-8-19(14)25-21(16)27-13-20(26)24-17-10-15-6-1-3-7-18(15)23-12-17/h1,3,6-7,9-10,12H,2,4-5,8,13H2,(H,24,26)