N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]-3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-3-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 3-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]propionamide Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C22H21N5O5S2/c1-14-13-19(25-32-14)26-34(30,31)16-9-7-15(8-10-16)23-20(28)11-12-33-22-24-18-6-4-3-5-17(18)21(29)27(22)2/h3-10,13H,11-12H2,1-2H3,(H,23,28)(H,25,26)