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

Systemtic Name: 2-[4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoylamino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]propanoylamino]phenyl]cinchoninic acid Formula: C30H24N4O4S MolecularWeight: 536.60096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=NC5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)SC4=NC5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C30H24N4O4S/c1-3-16-34-28(36)22-9-5-7-11-25(22)33-30(34)39-18(2)27(35)31-20-14-12-19(13-15-20)26-17-23(29(37)38)21-8-4-6-10-24(21)32-26/h3-15,17-18H,1,16H2,2H3,(H,31,35)(H,37,38)