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

Systemtic Name: 3-butyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)phthalazine-1-carboxamide Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C24H25N5O3S/c1-2-3-10-29-23(31)18-7-5-4-6-17(18)21(27-29)22(30)25-16-8-9-19-20(15-16)33-24(26-19)28-11-13-32-14-12-28/h4-9,15H,2-3,10-14H2,1H3,(H,25,30)