2-chloranyl-5-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propanoylamino]benzoic acid Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3O4S/c25-19-11-10-15(14-18(19)23(31)32)26-21(29)12-13-33-24-27-20-9-5-4-8-17(20)22(30)28(24)16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,26,29)(H,31,32)