N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(2,4-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C24H18N4O4S MolecularWeight: 458.48912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C24H18N4O4S/c1-31-14-11-12-18(19(13-14)32-2)28-23(30)16-8-4-3-7-15(16)21(27-28)22(29)26-24-25-17-9-5-6-10-20(17)33-24/h3-13H,1-2H3,(H,25,26,29)