6-(6-bromanyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)hexanoate

Systemtic Name: 6-(6-bromanyl-4-oxidanidyl-2-sulfanylidene-quinazolin-3-yl)hexanoate Openeye Name: 6-(6-bromo-4-oxido-2-thioxo-quinazolin-3-yl)hexanoate CAS Name: 6-(6-bromo-4-oxido-2-sulfanylidene-3-quinazolinyl)hexanoate IUPAC Name: 6-(6-bromo-4-oxido-2-sulfanylidenequinazolin-3-yl)hexanoate Traditional Name: 6-(6-bromo-4-oxido-2-thioxo-quinazolin-3-yl)hexanoate Formula: C14H13BrN2O3S-2 MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=S)N(C(=C2C=C1Br)[O-])CCCCCC(=O)[O-]

Isomeric SMILES

C1=CC2=NC(=S)N(C(=C2C=C1Br)[O-])CCCCCC(=O)[O-]

InChI

InChI=1S/C14H15BrN2O3S/c15-9-5-6-11-10(8-9)13(20)17(14(21)16-11)7-3-1-2-4-12(18)19/h5-6,8,20H,1-4,7H2,(H,18,19)/p-2