N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-2,4-dimethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-2,4-dimethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-2,4-dimethoxy-benzamide Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C24H26N2O3S/c1-28-19-9-10-20(22(14-19)29-2)24(27)25-15-21(23-8-5-13-30-23)26-12-11-17-6-3-4-7-18(17)16-26/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,25,27)