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

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(p-tolylmethyl)hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(4-methylbenzyl)hexanamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C22H24BrN3O2S/c1-15-6-8-16(9-7-15)14-24-20(27)5-3-2-4-12-26-21(28)18-13-17(23)10-11-19(18)25-22(26)29/h6-11,13H,2-5,12,14H2,1H3,(H,24,27)(H,25,29)