N-[(2S)-1-[2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(CCSC)NC(=O)C3=CC=CO3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)[C@H](CCSC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H23N5O5S/c1-3-26-21(30)14-8-5-4-7-13(14)17(25-26)20(29)24-23-18(27)15(10-12-32-2)22-19(28)16-9-6-11-31-16/h4-9,11,15H,3,10,12H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)/t15-/m0/s1