2-[3-[[(2-benzamidophenyl)sulfanyl-phenyl-methyl]amino]-4-oxidanylidene-quinazolin-2-yl]benzoic acid

Systemtic Name: 2-[3-[[(2-benzamidophenyl)sulfanyl-phenyl-methyl]amino]-4-oxidanylidene-quinazolin-2-yl]benzoic acid Openeye Name: 2-[3-[[(2-benzamidophenyl)sulfanyl-phenyl-methyl]amino]-4-oxo-quinazolin-2-yl]benzoic acid CAS Name: 2-[3-[[[(2-benzamidophenyl)thio]-phenylmethyl]amino]-4-oxo-2-quinazolinyl]benzoic acid IUPAC Name: 2-[3-[[(2-benzamidophenyl)sulfanyl-phenylmethyl]amino]-4-oxoquinazolin-2-yl]benzoic acid Traditional Name: 2-[3-[[[(2-benzamidophenyl)thio]-phenyl-methyl]amino]-4-keto-quinazolin-2-yl]benzoic acid Formula: C35H26N4O4S MolecularWeight: 598.67034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O)SC5=CC=CC=C5NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O)SC5=CC=CC=C5NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H26N4O4S/c40-32(23-13-3-1-4-14-23)37-29-21-11-12-22-30(29)44-33(24-15-5-2-6-16-24)38-39-31(25-17-7-8-18-26(25)35(42)43)36-28-20-10-9-19-27(28)34(39)41/h1-22,33,38H,(H,37,40)(H,42,43)