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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-propylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-propylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-propyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-propylquinazolin-4-yl)thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3S/c1-2-5-19-23-16-7-4-3-6-15(16)21(24-19)28-13-20(25)22-14-8-9-17-18(12-14)27-11-10-26-17/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,22,25)