4-benzamido-5-oxidanylidene-5-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-pentanoic acid

Systemtic Name: 4-benzamido-5-oxidanylidene-5-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-pentanoic acid Openeye Name: 4-benzamido-5-oxo-5-[(4-oxo-2-thioxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-pentanoic acid CAS Name: 4-benzamido-5-oxo-5-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]oxypentanoic acid IUPAC Name: 4-benzamido-5-oxo-5-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]oxypentanoic acid Traditional Name: 4-benzamido-5-keto-5-[(4-keto-2-thioxo-1H-quinazolin-6-yl)methyl-propargyl-amino]oxy-valeric 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)OC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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