N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O5S/c1-2-31-18-10-8-17(9-11-18)28-24(30)19-5-3-4-6-20(19)27-25(28)34-14-23(29)26-16-7-12-21-22(13-16)33-15-32-21/h3-13H,2,14-15H2,1H3,(H,26,29)