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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H16N4O4S MolecularWeight: 456.47324

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H16N4O4S/c25-12-15-5-8-17(9-6-15)28-23(30)18-3-1-2-4-19(18)27-24(28)33-13-22(29)26-16-7-10-20-21(11-16)32-14-31-20/h1-11H,13-14H2,(H,26,29)