3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide

Systemtic Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide Openeye Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-iodophenyl)propanamide IUPAC Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide Traditional Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-iodophenyl)propionamide Formula: C20H20IN3OS MolecularWeight: 477.36177

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)I)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)I)C#N

InChI

InChI=1S/C20H20IN3OS/c1-13-2-7-18-14(10-13)11-15(12-22)20(24-18)26-9-8-19(25)23-17-5-3-16(21)4-6-17/h3-6,11,13H,2,7-10H2,1H3,(H,23,25)