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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)propionamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C22H21N5O4S/c28-19(7-8-27-21(30)16-4-2-1-3-15(16)20(29)25-27)23-14-5-6-17-18(13-14)32-22(24-17)26-9-11-31-12-10-26/h1-6,13H,7-12H2,(H,23,28)(H,25,29)