4-oxidanylidene-3-propyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H17N5O4S2/c1-2-9-24-18(26)13-6-4-3-5-12(13)16(23-24)17(25)22-19-21-14-8-7-11(30(20,27)28)10-15(14)29-19/h3-8,10H,2,9H2,1H3,(H2,20,27,28)(H,21,22,25)