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

Systemtic Name: N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H20N2O4S/c26-22(20-14-28-18-4-1-2-5-19(18)29-20)24-17-8-7-15-9-10-25(13-16(15)12-17)23(27)21-6-3-11-30-21/h1-8,11-12,20H,9-10,13-14H2,(H,24,26)