dimethyl-[3-[[(2-nitrophenyl)amino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2-nitrophenyl)amino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[(2-nitroanilino)carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[(2-nitrophenyl)hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(2-nitroanilino)carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[(2-nitroanilino)thiocarbamoylamino]propyl]ammonium Formula: C12H20N5O2S+ MolecularWeight: 298.3845

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H19N5O2S/c1-16(2)9-5-8-13-12(20)15-14-10-6-3-4-7-11(10)17(18)19/h3-4,6-7,14H,5,8-9H2,1-2H3,(H2,13,15,20)/p+1