N-[1-[2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[1-[2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[1-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[1-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[1-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C24H27N5O7S2 MolecularWeight: 561.63048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(CCSC)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(CCSC)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H27N5O7S2/c1-3-29-24(32)17-7-5-4-6-16(17)21(27-29)23(31)26-25-22(30)18(10-13-37-2)28-38(33,34)15-8-9-19-20(14-15)36-12-11-35-19/h4-9,14,18,28H,3,10-13H2,1-2H3,(H,25,30)(H,26,31)