2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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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(=O)N4

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4S/c27-18(12-26-20(29)15-4-2-1-3-14(15)19(28)24-26)22-13-5-6-16-17(11-13)31-21(23-16)25-7-9-30-10-8-25/h1-6,11H,7-10,12H2,(H,22,27)(H,24,28)