2-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid

Systemtic Name: 2-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid Openeye Name: 2-[benzoyl-[(4-oxo-2-thioxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]amino]pentanedioic acid CAS Name: 2-[benzoyl-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanedioic acid IUPAC Name: 2-[benzoyl-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanedioic acid Traditional Name: 2-[benzoyl-[(4-keto-2-thioxo-1H-quinazolin-6-yl)methyl-propargyl-amino]amino]glutaric acid Formula: C24H22N4O6S MolecularWeight: 494.51968

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=S)NC2=O)N(C(CCC(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=S)NC2=O)N(C(CCC(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H22N4O6S/c1-2-12-27(14-15-8-9-18-17(13-15)21(31)26-24(35)25-18)28(19(23(33)34)10-11-20(29)30)22(32)16-6-4-3-5-7-16/h1,3-9,13,19H,10-12,14H2,(H,29,30)(H,33,34)(H2,25,26,31,35)