N-tert-butyl-2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[7-chloro-3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[7-chloro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[7-chloro-4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

InChI

InChI=1S/C21H22ClN3O3S/c1-21(2,3)24-18(26)12-29-20-23-15-11-13(22)9-10-14(15)19(27)25(20)16-7-5-6-8-17(16)28-4/h5-11H,12H2,1-4H3,(H,24,26)