N-(5-chloranyl-2-methoxy-phenyl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-oxo-3-(3-pyridyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[[4-keto-3-(3-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

InChI

InChI=1S/C22H17ClN4O3S/c1-30-19-9-8-14(23)11-18(19)25-20(28)13-31-22-26-17-7-3-2-6-16(17)21(29)27(22)15-5-4-10-24-12-15/h2-12H,13H2,1H3,(H,25,28)