3-methyl-7-[[3-(propan-2-ylsulfamoyl)phenyl]methylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[[3-(propan-2-ylsulfamoyl)phenyl]methylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[[3-(isopropylsulfamoyl)phenyl]methylcarbamoyl]-3-methyl-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[oxo-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[[3-(propan-2-ylsulfamoyl)phenyl]methylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[[3-(isopropylsulfamoyl)benzyl]carbamoyl]-3-methyl-2-thioxo-quinazolin-4-olate Formula: C20H21N4O4S2- MolecularWeight: 445.53514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-12(2)23-30(27,28)15-6-4-5-13(9-15)11-21-18(25)14-7-8-16-17(10-14)22-20(29)24(3)19(16)26/h4-10,12,23,26H,11H2,1-3H3,(H,21,25)/p-1