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

Systemtic Name: dimethyl-[2-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamothioylamino]ethyl]azanium Traditional Name: 2-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C19H29N6O2S+ MolecularWeight: 405.53756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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