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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-propyl-phthalazine-1-carboxamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S2/c1-3-10-24-19(26)14-7-5-4-6-13(14)17(23-24)18(25)22-20-21-15-9-8-12(30(2,27)28)11-16(15)29-20/h4-9,11H,3,10H2,1-2H3,(H,21,22,25)