N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethyl-6-methyl-phenyl)ethanediamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(2-ethyl-6-methyl-phenyl)ethanediamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(2-ethyl-6-methyl-phenyl)oxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N'-(2-ethyl-6-methylphenyl)oxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-(2-ethyl-6-methylphenyl)oxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(2-ethyl-6-methyl-phenyl)oxamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C26H29N3O2S/c1-3-19-10-6-7-18(2)24(19)28-26(31)25(30)27-15-23(22-12-14-32-17-22)29-13-11-20-8-4-5-9-21(20)16-29/h4-10,12,14,17,23H,3,11,13,15-16H2,1-2H3,(H,27,30)(H,28,31)