2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-iodanylphenyl)ethanamide

Systemtic Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide CAS Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide Traditional Name: 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(2-iodophenyl)acetamide Formula: C22H18IN3OS2 MolecularWeight: 531.43229

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=CC=C3I)C#N)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=CC=C3I)C#N)C4=CC=CS4

InChI

InChI=1S/C22H18IN3OS2/c23-16-7-2-4-9-18(16)25-20(27)13-29-22-15(12-24)21(19-10-5-11-28-19)14-6-1-3-8-17(14)26-22/h2,4-5,7,9-11H,1,3,6,8,13H2,(H,25,27)