ethyl 4-[(4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]benzoic acid ethyl ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4S/c1-2-31-23(30)15-8-11-17(12-9-15)25-21(28)16-10-13-19-20(14-16)26-24(32)27(22(19)29)18-6-4-3-5-7-18/h3-14H,2H2,1H3,(H,25,28)(H,26,32)