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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3O4S/c1-14(21(29)26-15-11-12-19(25)18(13-15)23(31)32)33-24-27-20-10-6-5-9-17(20)22(30)28(24)16-7-3-2-4-8-16/h2-14H,1H3,(H,26,29)(H,31,32)