3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propionamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)S(=O)(=O)N)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C1=CC(=CC=C1)S(=O)(=O)N)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C19H20N4O4S2/c1-12(13-5-4-6-14(11-13)29(20,26)27)21-17(24)9-10-23-18(25)15-7-2-3-8-16(15)22-19(23)28/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,28)(H2,20,26,27)