2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-ethanoylphenyl)ethanamide

Systemtic Name: 2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-[6-bromo-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-acetylphenyl)-2-[[6-bromo-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-acetylphenyl)-2-[[6-bromo-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CCOC

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CCOC

InChI

InChI=1S/C21H20BrN3O4S/c1-13(26)15-5-3-4-6-17(15)23-19(27)12-30-21-24-18-8-7-14(22)11-16(18)20(28)25(21)9-10-29-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)