6-[(2-methoxyphenyl)sulfamoyl]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-[(2-methoxyphenyl)sulfamoyl]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-[(2-methoxyphenyl)sulfamoyl]-3-(3-morpholinopropyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-[(2-methoxyphenyl)sulfamoyl]-3-[3-(4-morpholinyl)propyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-[(2-methoxyphenyl)sulfamoyl]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-[(2-methoxyphenyl)sulfamoyl]-3-(3-morpholinopropyl)-2-thioxo-quinazolin-4-olate Formula: C22H25N4O5S2- MolecularWeight: 489.5877

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(N(C(=S)N=C3C=C2)CCCN4CCOCC4)[O-]

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(N(C(=S)N=C3C=C2)CCCN4CCOCC4)[O-]

InChI

InChI=1S/C22H26N4O5S2/c1-30-20-6-3-2-5-19(20)24-33(28,29)16-7-8-18-17(15-16)21(27)26(22(32)23-18)10-4-9-25-11-13-31-14-12-25/h2-3,5-8,15,24,27H,4,9-14H2,1H3/p-1