2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C22H21N5O3S/c1-26-21(29)16-5-3-2-4-15(16)18(25-26)13-20(28)23-14-6-7-17-19(12-14)31-22(24-17)27-8-10-30-11-9-27/h2-7,12H,8-11,13H2,1H3,(H,23,28)