N-(4-acetamidophenyl)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC

InChI

InChI=1S/C21H21ClN4O4S/c1-13(27)23-15-4-6-16(7-5-15)24-19(28)12-31-21-25-18-11-14(22)3-8-17(18)20(29)26(21)9-10-30-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)(H,24,28)