ethyl N-[[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamothioyl]carbamate CAS Name: N-[[[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamothioyl]carbamate Traditional Name: N-[[2-hydroxy-3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NCC(CNC1=NNC(=O)C2=CC=CC=C21)O

Isomeric SMILES

CCOC(=O)NC(=S)NCC(CNC1=NNC(=O)C2=CC=CC=C21)O

InChI

InChI=1S/C15H19N5O4S/c1-2-24-15(23)18-14(25)17-8-9(21)7-16-12-10-5-3-4-6-11(10)13(22)20-19-12/h3-6,9,21H,2,7-8H2,1H3,(H,16,19)(H,20,22)(H2,17,18,23,25)