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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,3,4-trimethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2,3,4-trimethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,3,4-trimethoxy-benzamide Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-29-22-9-8-20(23(30-2)24(22)31-3)25(28)26-14-21(19-11-13-32-16-19)27-12-10-17-6-4-5-7-18(17)15-27/h4-9,11,13,16,21H,10,12,14-15H2,1-3H3,(H,26,28)