4-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylbenzoic acid

Systemtic Name: 4-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylbenzoic acid Openeye Name: 4-[4-[(3,5-dimethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoyl]benzoic acid CAS Name: 4-[[4-[[(3,5-dimethyl-4-oxo-2-quinazolinyl)thio]methyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-[(3,5-dimethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoyl]benzoic acid Traditional Name: 4-[4-[[(4-keto-3,5-dimethyl-quinazolin-2-yl)thio]methyl]benzoyl]benzoic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N2O4S/c1-15-4-3-5-20-21(15)23(29)27(2)25(26-20)32-14-16-6-8-17(9-7-16)22(28)18-10-12-19(13-11-18)24(30)31/h3-13H,14H2,1-2H3,(H,30,31)