4-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]benzoic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O4S/c23-16(20-11-12-5-7-13(8-6-12)18(25)26)9-10-22-17(24)14-3-1-2-4-15(14)21-19(22)27/h1-8H,9-11H2,(H,20,23)(H,21,27)(H,25,26)