N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C21H22ClN3O4S/c1-13-10-17(18(29-3)11-15(13)22)23-19(26)12-30-21-24-16-7-5-4-6-14(16)20(27)25(21)8-9-28-2/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26)