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

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)-3-propyl-phthalazine-1-carboxamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C23H23N5O3S/c1-2-9-28-22(30)17-6-4-3-5-16(17)20(26-28)21(29)24-15-7-8-18-19(14-15)32-23(25-18)27-10-12-31-13-11-27/h3-8,14H,2,9-13H2,1H3,(H,24,29)