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

Systemtic Name: N-tert-butyl-2-[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-tert-butyl-2-[7-chloro-3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-tert-butyl-2-[[7-chloro-3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-tert-butyl-2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-tert-butyl-2-[[7-chloro-3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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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=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c1-12(18(27)25-21(2,3)4)29-20-24-17-11-14(23)7-10-16(17)19(28)26(20)15-8-5-13(22)6-9-15/h5-12H,1-4H3,(H,25,27)