3,4-diethoxy-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 3,4-diethoxy-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3,4-diethoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3,4-diethoxy-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3,4-diethoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3,4-diethoxy-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)OCC

InChI

InChI=1S/C25H26N2O4S/c1-3-30-21-10-8-18(15-22(21)31-4-2)24(28)26-20-9-7-17-11-12-27(16-19(17)14-20)25(29)23-6-5-13-32-23/h5-10,13-15H,3-4,11-12,16H2,1-2H3,(H,26,28)