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

Systemtic Name: 4-methylsulfanyl-2-oxidanyl-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]butanamide Openeye Name: 2-hydroxy-4-methylsulfanyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]butanamide CAS Name: 2-hydroxy-4-(methylthio)-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]butanamide IUPAC Name: 2-hydroxy-4-methylsulfanyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]butanamide Traditional Name: 2-hydroxy-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-4-(methylthio)butyramide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCNC1=NNC(=O)C2=CC=CC=C21)O

Isomeric SMILES

CSCCC(C(=O)NCCCNC1=NNC(=O)C2=CC=CC=C21)O

InChI

InChI=1S/C16H22N4O3S/c1-24-10-7-13(21)16(23)18-9-4-8-17-14-11-5-2-3-6-12(11)15(22)20-19-14/h2-3,5-6,13,21H,4,7-10H2,1H3,(H,17,19)(H,18,23)(H,20,22)