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

Systemtic Name: 2-[3-[[(2-acetamidophenyl)sulfanyl-phenyl-methyl]amino]-4-oxidanylidene-quinazolin-2-yl]benzoic acid Openeye Name: 2-[3-[[(2-acetamidophenyl)sulfanyl-phenyl-methyl]amino]-4-oxo-quinazolin-2-yl]benzoic acid CAS Name: 2-[3-[[[(2-acetamidophenyl)thio]-phenylmethyl]amino]-4-oxo-2-quinazolinyl]benzoic acid IUPAC Name: 2-[3-[[(2-acetamidophenyl)sulfanyl-phenylmethyl]amino]-4-oxoquinazolin-2-yl]benzoic acid Traditional Name: 2-[3-[[[(2-acetamidophenyl)thio]-phenyl-methyl]amino]-4-keto-quinazolin-2-yl]benzoic acid Formula: C30H24N4O4S MolecularWeight: 536.60096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SC(C2=CC=CC=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SC(C2=CC=CC=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C30H24N4O4S/c1-19(35)31-25-17-9-10-18-26(25)39-28(20-11-3-2-4-12-20)33-34-27(21-13-5-6-14-22(21)30(37)38)32-24-16-8-7-15-23(24)29(34)36/h2-18,28,33H,1H3,(H,31,35)(H,37,38)