6-bromanyl-3-[[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-[[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-[[4-[2-(dimethylammonio)ethylcarbamoyl]phenyl]methyl]-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[[4-[[2-(dimethylammonio)ethylamino]-oxomethyl]phenyl]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-[[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-[4-[2-(dimethylammonio)ethylcarbamoyl]benzyl]-2-thioxo-quinazolin-4-olate Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC=C(C=C1)CN2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC=C(C=C1)CN2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

InChI=1S/C20H21BrN4O2S/c1-24(2)10-9-22-18(26)14-5-3-13(4-6-14)12-25-19(27)16-11-15(21)7-8-17(16)23-20(25)28/h3-8,11,27H,9-10,12H2,1-2H3,(H,22,26)