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

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-chlorophenyl)methyl]hexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(4-chlorobenzyl)hexanamide Formula: C21H21BrClN3O2S MolecularWeight: 494.83234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

InChI

InChI=1S/C21H21BrClN3O2S/c22-15-7-10-18-17(12-15)20(28)26(21(29)25-18)11-3-1-2-4-19(27)24-13-14-5-8-16(23)9-6-14/h5-10,12H,1-4,11,13H2,(H,24,27)(H,25,29)