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

Systemtic Name: dimethyl-[2-[[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]carbamothioylamino]ethyl]azanium Traditional Name: 2-[[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C20H23N6O2S+ MolecularWeight: 411.50062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H22N6O2S/c1-25(2)13-12-21-20(29)23-22-18(27)17-15-10-6-7-11-16(15)19(28)26(24-17)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,27)(H2,21,23,29)/p+1