4-methylsulfanyl-2-oxidanyl-N-[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]butanamide

Systemtic Name: 4-methylsulfanyl-2-oxidanyl-N-[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]butanamide Openeye Name: 2-hydroxy-N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-methylsulfanyl-butanamide CAS Name: 2-hydroxy-N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-(methylthio)butanamide IUPAC Name: 2-hydroxy-N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-methylsulfanylbutanamide Traditional Name: 2-hydroxy-N-[2-hydroxy-3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-4-(methylthio)butyramide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(CNC1=NNC(=O)C2=CC=CC=C21)O)O

Isomeric SMILES

CSCCC(C(=O)NCC(CNC1=NNC(=O)C2=CC=CC=C21)O)O

InChI

InChI=1S/C16H22N4O4S/c1-25-7-6-13(22)16(24)18-9-10(21)8-17-14-11-4-2-3-5-12(11)15(23)20-19-14/h2-5,10,13,21-22H,6-9H2,1H3,(H,17,19)(H,18,24)(H,20,23)