7-[(4-methoxy-3-sulfamoyl-phenyl)carbamoyl]-3-phenyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(4-methoxy-3-sulfamoyl-phenyl)carbamoyl]-3-phenyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(4-methoxy-3-sulfamoyl-phenyl)carbamoyl]-3-phenyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-methoxy-3-sulfamoylanilino)-oxomethyl]-3-phenyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(4-methoxy-3-sulfamoylphenyl)carbamoyl]-3-phenyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(4-methoxy-3-sulfamoyl-phenyl)carbamoyl]-3-phenyl-2-thioxo-quinazolin-4-olate Formula: C22H17N4O5S2- MolecularWeight: 481.52418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H18N4O5S2/c1-31-18-10-8-14(12-19(18)33(23,29)30)24-20(27)13-7-9-16-17(11-13)25-22(32)26(21(16)28)15-5-3-2-4-6-15/h2-12,28H,1H3,(H,24,27)(H2,23,29,30)/p-1