3-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propanoylamino]benzoic acid Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4S/c1-15(21(28)25-17-9-7-8-16(14-17)23(30)31)32-24-26-20-13-6-5-12-19(20)22(29)27(24)18-10-3-2-4-11-18/h2-15H,1H3,(H,25,28)(H,30,31)