N-[[4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]methyl]thiophene-2-carboxamide CAS Name: N-[[4-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-[4-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]benzyl]thiophene-2-carboxamide Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C24H21N5O4S/c1-2-29-24(33)18-7-4-3-6-17(18)20(28-29)23(32)27-26-21(30)16-11-9-15(10-12-16)14-25-22(31)19-8-5-13-34-19/h3-13H,2,14H2,1H3,(H,25,31)(H,26,30)(H,27,32)