6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]hexanamide

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]hexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]hexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]hexanamide Formula: C22H23BrClN3O2S MolecularWeight: 508.85892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

InChI

InChI=1S/C22H23BrClN3O2S/c23-16-7-10-19-18(14-16)21(29)27(22(30)26-19)13-3-1-2-4-20(28)25-12-11-15-5-8-17(24)9-6-15/h5-10,14H,1-4,11-13H2,(H,25,28)(H,26,30)