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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(4-bromo-3-methylphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-14-13-15(10-11-17(14)22)23-19(26)9-3-2-6-12-25-20(27)16-7-4-5-8-18(16)24-21(25)28/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,23,26)(H,24,28)