dimethyl-[3-[(4-methyl-3-nitro-phenyl)carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-methyl-3-nitro-phenyl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-3-nitro-phenyl)carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-3-nitrophenyl)carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[(4-methyl-3-nitro-phenyl)thiocarbamoylamino]propyl]ammonium Formula: C13H21N4O2S+ MolecularWeight: 297.39644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O2S/c1-10-5-6-11(9-12(10)17(18)19)15-13(20)14-7-4-8-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15,20)/p+1