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

Systemtic Name: dimethyl-[3-[[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: 3-[[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]carbamothioylamino]propyl]azanium Traditional Name: 3-[[(3-isoamyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2S/c1-14(2)10-13-26-19(28)16-9-6-5-8-15(16)17(24-26)18(27)22-23-20(29)21-11-7-12-25(3)4/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,22,27)(H2,21,23,29)/p+1