N-tert-butyl-2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[7-chloro-3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[7-chloro-4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H24ClN3O3S/c1-13-6-9-18(29-5)17(10-13)26-20(28)15-8-7-14(23)11-16(15)24-21(26)30-12-19(27)25-22(2,3)4/h6-11H,12H2,1-5H3,(H,25,27)