4-[(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzenesulfonamide Openeye Name: 4-[(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzenesulfonamide CAS Name: 4-[(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzenesulfonamide IUPAC Name: 4-[(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzenesulfonamide Traditional Name: 4-[(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)methyl]benzenesulfonamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C17H17N3O5S2/c1-24-14-7-12-13(8-15(14)25-2)19-17(26)20(16(12)21)9-10-3-5-11(6-4-10)27(18,22)23/h3-8H,9H2,1-2H3,(H,19,26)(H2,18,22,23)