N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N-[(3-methoxyphenyl)methyl]ethanediamide

Systemtic Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N-[(3-methoxyphenyl)methyl]ethanediamide Openeye Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide CAS Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide IUPAC Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N-[(3-methoxyphenyl)methyl]oxamide Traditional Name: N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N-m-anisyl-oxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O3S/c1-31-22-8-4-5-18(13-22)14-26-24(29)25(30)27-15-23(21-10-12-32-17-21)28-11-9-19-6-2-3-7-20(19)16-28/h2-8,10,12-13,17,23H,9,11,14-16H2,1H3,(H,26,29)(H,27,30)