2-azanyl-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-azanyl-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methylsulfanyl-benzamide Openeye Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methylsulfanyl-benzamide CAS Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-(methylthio)benzamide IUPAC Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methylsulfanylbenzamide Traditional Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-(methylthio)benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)SC)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)SC)N)OC

InChI

InChI=1S/C27H31N3O3S/c1-32-25-14-19-11-13-30(17-20(19)15-26(25)33-2)12-10-18-4-6-21(7-5-18)29-27(31)23-16-22(34-3)8-9-24(23)28/h4-9,14-16H,10-13,17,28H2,1-3H3,(H,29,31)