N-[1-[2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[1-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N5O4S/c1-4-26-21(30)14-9-6-5-8-13(14)17(25-26)20(29)24-23-19(28)16(12(2)3)22-18(27)15-10-7-11-31-15/h5-12,16H,4H2,1-3H3,(H,22,27)(H,23,28)(H,24,29)