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

Systemtic Name: dimethyl-[3-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamothioylamino]propyl]azanium Traditional Name: 3-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H31N6O2S+ MolecularWeight: 419.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H30N6O2S/c1-4-5-8-14-26-19(28)16-11-7-6-10-15(16)17(24-26)18(27)22-23-20(29)21-12-9-13-25(2)3/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,22,27)(H2,21,23,29)/p+1