(4-acetamidophenyl) 3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: (4-acetamidophenyl) 3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: (4-acetamidophenyl) 3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid (4-acetamidophenyl) ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC4=CC=C(C=C4)NC(=O)C)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC4=CC=C(C=C4)NC(=O)C)NC2=S)C

InChI

InChI=1S/C25H21N3O4S/c1-14-5-4-6-22(15(14)2)28-23(30)20-12-7-17(13-21(20)27-25(28)33)24(31)32-19-10-8-18(9-11-19)26-16(3)29/h4-13H,1-3H3,(H,26,29)(H,27,33)