N-(2-cyano-1-benzofuran-3-yl)-2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanobenzofuran-3-yl)-2-[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanobenzofuran-3-yl)-2-[(4-keto-3-o-phenetyl-quinazolin-2-yl)thio]acetamide Formula: C27H20N4O4S MolecularWeight: 496.5371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

InChI

InChI=1S/C27H20N4O4S/c1-2-34-22-14-8-6-12-20(22)31-26(33)17-9-3-5-11-19(17)29-27(31)36-16-24(32)30-25-18-10-4-7-13-21(18)35-23(25)15-28/h3-14H,2,16H2,1H3,(H,30,32)