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

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]acetamide Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27ClN2O2S/c1-17-11-22(12-18(2)25(17)26)30-15-24(29)27-13-23(21-8-10-31-16-21)28-9-7-19-5-3-4-6-20(19)14-28/h3-6,8,10-12,16,23H,7,9,13-15H2,1-2H3,(H,27,29)