N-[4-[[4-oxidanylidene-3-(phenylcarbamothioylamino)quinazolin-2-yl]amino]phenyl]sulfonylethanamide

Systemtic Name: N-[4-[[4-oxidanylidene-3-(phenylcarbamothioylamino)quinazolin-2-yl]amino]phenyl]sulfonylethanamide Openeye Name: N-[4-[[4-oxo-3-(phenylcarbamothioylamino)quinazolin-2-yl]amino]phenyl]sulfonylacetamide CAS Name: N-[4-[[3-[[anilino(sulfanylidene)methyl]amino]-4-oxo-2-quinazolinyl]amino]phenyl]sulfonylacetamide IUPAC Name: N-[4-[[4-oxo-3-(phenylcarbamothioylamino)quinazolin-2-yl]amino]phenyl]sulfonylacetamide Traditional Name: N-[4-[[4-keto-3-(phenylthiocarbamoylamino)quinazolin-2-yl]amino]phenyl]sulfonylacetamide Formula: C23H20N6O4S2 MolecularWeight: 508.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H20N6O4S2/c1-15(30)28-35(32,33)18-13-11-17(12-14-18)24-22-26-20-10-6-5-9-19(20)21(31)29(22)27-23(34)25-16-7-3-2-4-8-16/h2-14H,1H3,(H,24,26)(H,28,30)(H2,25,27,34)