N-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(4-keto-1H-quinazoline-2-carbothioyl)amino]phenyl]sulfonylbenzamide Formula: C22H16N4O4S2 MolecularWeight: 464.51684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H16N4O4S2/c27-20(14-6-2-1-3-7-14)26-32(29,30)16-12-10-15(11-13-16)23-22(31)19-24-18-9-5-4-8-17(18)21(28)25-19/h1-13H,(H,23,31)(H,26,27)(H,24,25,28)