4-bromanyl-N'-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]benzohydrazide Openeye Name: 4-bromo-N'-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]benzohydrazide CAS Name: 4-bromo-N'-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]benzohydrazide Traditional Name: 4-bromo-N'-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]benzohydrazide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O3S/c22-15-11-9-14(10-12-15)19(28)25-24-18(27)8-2-1-5-13-26-20(29)16-6-3-4-7-17(16)23-21(26)30/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,23,30)(H,24,27)(H,25,28)