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

Systemtic Name: N-tert-butyl-2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-tert-butyl-2-[7-chloro-3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-tert-butyl-2-[[7-chloro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-tert-butyl-2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-tert-butyl-2-[[7-chloro-4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]propionamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

InChI

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