4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-2-phenyl-3-(phenylcarbonyl)benzamide

Systemtic Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-2-phenyl-3-(phenylcarbonyl)benzamide Openeye Name: 3-benzoyl-4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-2-phenyl-benzamide CAS Name: 3-benzoyl-4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propylthio]-2-phenylbenzamide IUPAC Name: 3-benzoyl-4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-2-phenylbenzamide Traditional Name: 3-benzoyl-4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propylthio]-2-phenyl-benzamide Formula: C34H34N2O4S MolecularWeight: 566.70976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCSC3=C(C(=C(C=C3)C(=O)N)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCSC3=C(C(=C(C=C3)C(=O)N)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C34H34N2O4S/c1-39-28-20-25-16-18-36(22-26(25)21-29(28)40-2)17-9-19-41-30-15-14-27(34(35)38)31(23-10-5-3-6-11-23)32(30)33(37)24-12-7-4-8-13-24/h3-8,10-15,20-21H,9,16-19,22H2,1-2H3,(H2,35,38)