N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(3,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S/c1-18-11-19(2)13-23(12-18)29-16-25(28)26-14-24(22-8-10-30-17-22)27-9-7-20-5-3-4-6-21(20)15-27/h3-6,8,10-13,17,24H,7,9,14-16H2,1-2H3,(H,26,28)