N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]hydrazinyl]butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]hydrazinyl]butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1R)-3-methylsulfanyl-1-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]propyl]-2-phenoxy-acetamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazo]butan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]butan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1R)-1-[[(4-keto-3H-phthalazine-1-carbonyl)amino]carbamoyl]-3-(methylthio)propyl]-2-phenoxy-acetamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=NNC(=O)C2=CC=CC=C21)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCC[C@H](C(=O)NNC(=O)C1=NNC(=O)C2=CC=CC=C21)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O5S/c1-33-12-11-17(23-18(28)13-32-14-7-3-2-4-8-14)21(30)26-27-22(31)19-15-9-5-6-10-16(15)20(29)25-24-19/h2-10,17H,11-13H2,1H3,(H,23,28)(H,25,29)(H,26,30)(H,27,31)/t17-/m1/s1