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

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)amino]benzoic acid Openeye Name: 4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)amino]benzoic acid CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]benzoic acid IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]benzoic acid Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)amino]benzoic acid Formula: C15H11N3O3S MolecularWeight: 313.33114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H11N3O3S/c19-13-11-3-1-2-4-12(11)16-15(22)18(13)17-10-7-5-9(6-8-10)14(20)21/h1-8,17H,(H,16,22)(H,20,21)