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

Systemtic Name: 2-[[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3-butyl-4-oxophthalazine-1-carbonyl)amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C18H27N6O2S+ MolecularWeight: 391.51098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O2S/c1-4-5-11-24-17(26)14-9-7-6-8-13(14)15(22-24)16(25)20-21-18(27)19-10-12-23(2)3/h6-9H,4-5,10-12H2,1-3H3,(H,20,25)(H2,19,21,27)/p+1