3-butyl-N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-acetyl-4-phenyl-2-thiazolyl)-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S/c1-3-4-14-28-23(31)18-13-9-8-12-17(18)20(27-28)22(30)26-24-25-19(21(32-24)15(2)29)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3,(H,25,26,30)