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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O2S/c1-13(2)9-11-25-18(27)15-8-6-5-7-14(15)16(23-25)17(26)21-22-19(28)20-10-12-24(3)4/h5-8,13H,9-12H2,1-4H3,(H,21,26)(H2,20,22,28)/p+1