3-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H20N4O4S2/c1-3-4-11-25-20(27)15-8-6-5-7-14(15)18(24-25)19(26)23-21-22-16-10-9-13(31(2,28)29)12-17(16)30-21/h5-10,12H,3-4,11H2,1-2H3,(H,22,23,26)