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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

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