N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methyl-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methyl-2-phenyl-quinazolin-4-yl)thio]acetamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c1-16-7-9-20-19(13-16)25(28-24(27-20)17-5-3-2-4-6-17)32-15-23(29)26-18-8-10-21-22(14-18)31-12-11-30-21/h2-10,13-14H,11-12,15H2,1H3,(H,26,29)