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

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methylsulfanyl-2-nitro-benzamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-(methylthio)-2-nitro-benzamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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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+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S/c1-34-25-14-19-11-13-29(17-20(19)15-26(25)35-2)12-10-18-4-6-21(7-5-18)28-27(31)23-16-22(36-3)8-9-24(23)30(32)33/h4-9,14-16H,10-13,17H2,1-3H3,(H,28,31)