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

Systemtic Name: 3-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[(2-morpholino-1,3-benzothiazol-6-yl)amino]ethyl]phthalazine-1-carboxamide Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

InChI

InChI=1S/C22H20N6O4S/c23-20(30)19-14-3-1-2-4-15(14)21(31)28(26-19)12-18(29)24-13-5-6-16-17(11-13)33-22(25-16)27-7-9-32-10-8-27/h1-6,11H,7-10,12H2,(H2,23,30)(H,24,29)