3-(2,3-dimethylphenyl)-7-(3-oxidanylidenepiperazin-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(2,3-dimethylphenyl)-7-(3-oxidanylidenepiperazin-1-yl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(2,3-dimethylphenyl)-7-(3-oxopiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-(2,3-dimethylphenyl)-7-[oxo-(3-oxo-1-piperazinyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2,3-dimethylphenyl)-7-(3-oxopiperazine-1-carbonyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2,3-dimethylphenyl)-7-(3-ketopiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C21H19N4O3S- MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=C3C=CC(=CC3=NC2=S)C(=O)N4CCNC(=O)C4)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=C3C=CC(=CC3=NC2=S)C(=O)N4CCNC(=O)C4)[O-])C

InChI

InChI=1S/C21H20N4O3S/c1-12-4-3-5-17(13(12)2)25-20(28)15-7-6-14(10-16(15)23-21(25)29)19(27)24-9-8-22-18(26)11-24/h3-7,10,28H,8-9,11H2,1-2H3,(H,22,26)/p-1