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

Systemtic Name: 5-chloranyl-2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)carbamothioylamino]-N-oxidanyl-benzeneamine oxide Openeye Name: 5-chloro-N-hydroxy-2-[(2-methyl-4-oxo-quinazolin-3-yl)carbamothioylamino]benzeneamine oxide CAS Name: 5-chloro-N-hydroxy-2-[[[(2-methyl-4-oxo-3-quinazolinyl)amino]-sulfanylidenemethyl]amino]benzeneamine oxide IUPAC Name: 5-chloro-N-hydroxy-2-[(2-methyl-4-oxoquinazolin-3-yl)carbamothioylamino]benzeneamine oxide Traditional Name: 5-chloro-N-hydroxy-2-[(4-keto-2-methyl-quinazolin-3-yl)thiocarbamoylamino]benzeneamine oxide Formula: C16H14ClN5O3S MolecularWeight: 391.83206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=C(C=C(C=C3)Cl)[NH+](O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=C(C=C(C=C3)Cl)[NH+](O)[O-]

InChI

InChI=1S/C16H14ClN5O3S/c1-9-18-12-5-3-2-4-11(12)15(23)21(9)20-16(26)19-13-7-6-10(17)8-14(13)22(24)25/h2-8,22,24H,1H3,(H2,19,20,26)