3-butyl-4-oxidanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[4-(thiazol-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[4-(2-thiazolylsulfamoyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[4-(thiazol-2-ylsulfamoyl)phenyl]phthalazine-1-carboxamide Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

InChI

InChI=1S/C22H21N5O4S2/c1-2-3-13-27-21(29)18-7-5-4-6-17(18)19(25-27)20(28)24-15-8-10-16(11-9-15)33(30,31)26-22-23-12-14-32-22/h4-12,14H,2-3,13H2,1H3,(H,23,26)(H,24,28)