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

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

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19N3O4S/c28-21(25-17-12-10-16(11-13-17)23(30)31)14-15-32-24-26-20-9-5-4-8-19(20)22(29)27(24)18-6-2-1-3-7-18/h1-13H,14-15H2,(H,25,28)(H,30,31)