3-ethyl-4-oxidanylidene-N'-(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 3-ethyl-4-oxidanylidene-N'-(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 3-ethyl-4-oxo-N'-[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]phthalazine-1-carbohydrazide CAS Name: 3-ethyl-4-oxo-N'-[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]-1-phthalazinecarbohydrazide IUPAC Name: 3-ethyl-4-oxo-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)phthalazine-1-carbohydrazide Traditional Name: 3-ethyl-4-keto-N'-(3-piperidinosulfonylthiophene-2-carbonyl)phthalazine-1-carbohydrazide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N5O5S2/c1-2-26-21(29)15-9-5-4-8-14(15)17(24-26)19(27)22-23-20(28)18-16(10-13-32-18)33(30,31)25-11-6-3-7-12-25/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,22,27)(H,23,28)