N-(4-aminocarbonylphenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-carbamoylphenyl)-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-carbamoylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-carbamoylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-carbamoylphenyl)-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H16N4O3S MolecularWeight: 416.45244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N)NC2=S

InChI

InChI=1S/C22H16N4O3S/c23-19(27)13-6-9-15(10-7-13)24-20(28)14-8-11-17-18(12-14)25-22(30)26(21(17)29)16-4-2-1-3-5-16/h1-12H,(H2,23,27)(H,24,28)(H,25,30)