2-[[3-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-phenyl-quinazolin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[3-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-2-phenyl-quinazolin-6-yl]amino]benzoic acid Openeye Name: 2-[[3-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-phenyl-quinazolin-6-yl]amino]benzoic acid CAS Name: 2-[[3-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-phenyl-6-quinazolinyl]amino]benzoic acid IUPAC Name: 2-[[3-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2-phenylquinazolin-6-yl]amino]benzoic acid Traditional Name: 2-[[4-keto-3-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-quinazolin-6-yl]amino]benzoic acid Formula: C29H20N4O3S MolecularWeight: 504.5591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)NC5=CC=CC=C5C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)NC5=CC=CC=C5C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C29H20N4O3S/c1-17-11-13-24-25(15-17)37-29(32-24)33-26(18-7-3-2-4-8-18)31-23-14-12-19(16-21(23)27(33)34)30-22-10-6-5-9-20(22)28(35)36/h2-16,30H,1H3,(H,35,36)