N-[4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C26H30N4O4S MolecularWeight: 494.6058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C)OCC

InChI

InChI=1S/C26H30N4O4S/c1-4-33-22-14-19-10-12-30(16-20(19)15-23(22)34-5-2)25(32)18-6-8-21(9-7-18)28-24(31)17-35-26-27-11-13-29(26)3/h6-9,11,13-15H,4-5,10,12,16-17H2,1-3H3,(H,28,31)