5-chloranyl-N-oxidanyl-2-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)carbamothioylamino]benzeneamine oxide

Systemtic Name: 5-chloranyl-N-oxidanyl-2-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)carbamothioylamino]benzeneamine oxide Openeye Name: 5-chloro-N-hydroxy-2-[(4-oxo-2-phenyl-quinazolin-3-yl)carbamothioylamino]benzeneamine oxide CAS Name: 5-chloro-N-hydroxy-2-[[[(4-oxo-2-phenyl-3-quinazolinyl)amino]-sulfanylidenemethyl]amino]benzeneamine oxide IUPAC Name: 5-chloro-N-hydroxy-2-[(4-oxo-2-phenylquinazolin-3-yl)carbamothioylamino]benzeneamine oxide Traditional Name: 5-chloro-N-hydroxy-2-[(4-keto-2-phenyl-quinazolin-3-yl)thiocarbamoylamino]benzeneamine oxide Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=C(C=C(C=C4)Cl)[NH+](O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=C(C=C(C=C4)Cl)[NH+](O)[O-]

InChI

InChI=1S/C21H16ClN5O3S/c22-14-10-11-17(18(12-14)27(29)30)24-21(31)25-26-19(13-6-2-1-3-7-13)23-16-9-5-4-8-15(16)20(26)28/h1-12,27,29H,(H2,24,25,31)