N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O3S/c30-25(27-20-11-12-23-24(15-20)32-14-13-31-23)17-33-26-28-21(18-7-3-1-4-8-18)16-22(29-26)19-9-5-2-6-10-19/h1-12,15-16H,13-14,17H2,(H,27,30)