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

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)phthalazine-1-carboxamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C25H27N5O3S/c1-2-3-6-11-30-24(32)19-8-5-4-7-18(19)22(28-30)23(31)26-17-9-10-20-21(16-17)34-25(27-20)29-12-14-33-15-13-29/h4-5,7-10,16H,2-3,6,11-15H2,1H3,(H,26,31)