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

Systemtic Name: 2-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H23N6O2S+ MolecularWeight: 363.45782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+](C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C16H22N6O2S/c1-4-22-15(24)12-8-6-5-7-11(12)13(20-22)14(23)18-19-16(25)17-9-10-21(2)3/h5-8H,4,9-10H2,1-3H3,(H,18,23)(H2,17,19,25)/p+1