N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridyl]thio]acetamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O4S/c28-22(26-18-7-8-20-21(12-18)31-15-30-20)14-32-23-19(6-3-10-25-23)24(29)27-11-9-16-4-1-2-5-17(16)13-27/h1-8,10,12H,9,11,13-15H2,(H,26,28)