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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+](C)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+](C)C

InChI

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