N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(3,5-dimethylphenyl)ethanediamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(3,5-dimethylphenyl)ethanediamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(3,5-dimethylphenyl)oxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N'-(3,5-dimethylphenyl)oxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-(3,5-dimethylphenyl)oxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(3,5-dimethylphenyl)oxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C25H27N3O2S/c1-17-11-18(2)13-22(12-17)27-25(30)24(29)26-14-23(21-8-10-31-16-21)28-9-7-19-5-3-4-6-20(19)15-28/h3-6,8,10-13,16,23H,7,9,14-15H2,1-2H3,(H,26,29)(H,27,30)