7-[[(2R)-2-(dimethylazaniumyl)-2-(2-methoxyphenyl)ethyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate

Systemtic Name: 7-[[(2R)-2-(dimethylazaniumyl)-2-(2-methoxyphenyl)ethyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate Openeye Name: 7-[[(2R)-2-(dimethylammonio)-2-(2-methoxyphenyl)ethyl]carbamoyl]-2-thioxo-1H-quinazolin-4-olate CAS Name: 7-[[[(2R)-2-(dimethylammonio)-2-(2-methoxyphenyl)ethyl]amino]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-olate IUPAC Name: 7-[[(2R)-2-(dimethylazaniumyl)-2-(2-methoxyphenyl)ethyl]carbamoyl]-2-sulfanylidene-1H-quinazolin-4-olate Traditional Name: 7-[[(2R)-2-(dimethylammonio)-2-(2-methoxyphenyl)ethyl]carbamoyl]-2-thioxo-1H-quinazolin-4-olate Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)C(=NC(=S)N2)[O-])C3=CC=CC=C3OC

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)C1=CC2=C(C=C1)C(=NC(=S)N2)[O-])C3=CC=CC=C3OC

InChI

InChI=1S/C20H22N4O3S/c1-24(2)16(14-6-4-5-7-17(14)27-3)11-21-18(25)12-8-9-13-15(10-12)22-20(28)23-19(13)26/h4-10,16H,11H2,1-3H3,(H,21,25)(H2,22,23,26,28)/t16-/m0/s1