7-[2-(dimethylazaniumyl)ethylcarbamoyl]-3-phenyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[2-(dimethylazaniumyl)ethylcarbamoyl]-3-phenyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[2-(dimethylammonio)ethylcarbamoyl]-3-phenyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[2-(dimethylammonio)ethylamino]-oxomethyl]-3-phenyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[2-(dimethylazaniumyl)ethylcarbamoyl]-3-phenyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[2-(dimethylammonio)ethylcarbamoyl]-3-phenyl-2-thioxo-quinazolin-4-olate Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-22(2)11-10-20-17(24)13-8-9-15-16(12-13)21-19(26)23(18(15)25)14-6-4-3-5-7-14/h3-9,12,25H,10-11H2,1-2H3,(H,20,24)