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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClN3O2S/c22-15-8-9-18-17(12-15)20(28)26(21(29)25-18)10-3-1-2-7-19(27)24-13-14-5-4-6-16(23)11-14/h4-6,8-9,11-12H,1-3,7,10,13H2,(H,24,27)(H,25,29)