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

Systemtic Name: 3-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid Formula: C23H17N3O4S MolecularWeight: 431.46378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H17N3O4S/c27-20(24-16-8-6-7-15(13-16)22(29)30)14-31-23-25-19-12-5-4-11-18(19)21(28)26(23)17-9-2-1-3-10-17/h1-13H,14H2,(H,24,27)(H,29,30)