N,N-dimethyl-3-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[(4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[[oxo-(4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[(4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: 3-[[(4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C18H17N5O5S2/c1-23(2)30(27,28)12-5-3-4-10(8-12)15(24)21-22-16(25)11-6-7-13-14(9-11)19-18(29)20-17(13)26/h3-9H,1-2H3,(H,21,24)(H,22,25)(H2,19,20,26,29)