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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,4-diethoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3,4-diethoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3,4-diethoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,4-diethoxy-benzamide Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)OCC

InChI

InChI=1S/C26H30N2O3S/c1-3-30-24-10-9-20(15-25(24)31-4-2)26(29)27-16-23(22-12-14-32-18-22)28-13-11-19-7-5-6-8-21(19)17-28/h5-10,12,14-15,18,23H,3-4,11,13,16-17H2,1-2H3,(H,27,29)