N-(3-cyanothiophen-2-yl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C22H16N4O3S2/c1-29-16-6-4-5-15(11-16)26-21(28)17-7-2-3-8-18(17)24-22(26)31-13-19(27)25-20-14(12-23)9-10-30-20/h2-11H,13H2,1H3,(H,25,27)