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

Systemtic Name: dimethyl-[3-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamothioylamino]propyl]azanium Traditional Name: 3-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H27N6O2S+ MolecularWeight: 391.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C18H26N6O2S/c1-4-11-24-17(26)14-9-6-5-8-13(14)15(22-24)16(25)20-21-18(27)19-10-7-12-23(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,20,25)(H2,19,21,27)/p+1