2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C26H26N2O4S/c1-31-22-12-11-20(15-23(22)32-2)27-25(29)17-33-24-10-6-5-9-21(24)26(30)28-14-13-18-7-3-4-8-19(18)16-28/h3-12,15H,13-14,16-17H2,1-2H3,(H,27,29)