2-[4-[[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-2-phenylethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetyl]amino]phenyl]cinchoninic acid Formula: C35H26N4O4S MolecularWeight: 598.67034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)O

InChI

InChI=1S/C35H26N4O4S/c1-2-20-39-33(41)26-13-7-9-15-29(26)38-35(39)44-31(23-10-4-3-5-11-23)32(40)36-24-18-16-22(17-19-24)30-21-27(34(42)43)25-12-6-8-14-28(25)37-30/h2-19,21,31H,1,20H2,(H,36,40)(H,42,43)