3-ethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)phthalazine-1-carboxamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C22H21N5O3S/c1-2-27-21(29)16-6-4-3-5-15(16)19(25-27)20(28)23-14-7-8-17-18(13-14)31-22(24-17)26-9-11-30-12-10-26/h3-8,13H,2,9-12H2,1H3,(H,23,28)