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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H22N4O4S2/c1-3-4-7-12-26-21(28)16-9-6-5-8-15(16)19(25-26)20(27)24-22-23-17-11-10-14(32(2,29)30)13-18(17)31-22/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,23,24,27)