dimethyl-[2-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamothioylamino]ethyl]azanium Traditional Name: 2-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H25N6O2S+ MolecularWeight: 377.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+](C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C17H24N6O2S/c1-4-10-23-16(25)13-8-6-5-7-12(13)14(21-23)15(24)19-20-17(26)18-9-11-22(2)3/h5-8H,4,9-11H2,1-3H3,(H,19,24)(H2,18,20,26)/p+1