3-[2-(2-phenylquinazolin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(2-phenylquinazolin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(2-phenyl-4-quinazolinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2-phenylquinazolin-4-yl)thio]acetyl]amino]benzoic acid Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H17N3O3S/c27-20(24-17-10-6-9-16(13-17)23(28)29)14-30-22-18-11-4-5-12-19(18)25-21(26-22)15-7-2-1-3-8-15/h1-13H,14H2,(H,24,27)(H,28,29)