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

Systemtic Name: 3-[[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3-butyl-4-oxophthalazine-1-carbonyl)amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H29N6O2S+ MolecularWeight: 405.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C19H28N6O2S/c1-4-5-13-25-18(27)15-10-7-6-9-14(15)16(23-25)17(26)21-22-19(28)20-11-8-12-24(2)3/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,21,26)(H2,20,22,28)/p+1