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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-phenylpyrimidin-4-yl)thio]acetamide Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c24-19(23-15-6-7-17-18(10-15)26-9-8-25-17)12-27-20-11-16(21-13-22-20)14-4-2-1-3-5-14/h1-7,10-11,13H,8-9,12H2,(H,23,24)