dimethyl-[3-[2-[(4-nitrophenyl)amino]ethylcarbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[2-[(4-nitrophenyl)amino]ethylcarbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[2-(4-nitroanilino)ethylcarbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[2-(4-nitroanilino)ethylamino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[2-(4-nitroanilino)ethylcarbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[2-(4-nitroanilino)ethylthiocarbamoylamino]propyl]ammonium Formula: C14H24N5O2S+ MolecularWeight: 326.43766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H23N5O2S/c1-18(2)11-3-8-16-14(22)17-10-9-15-12-4-6-13(7-5-12)19(20)21/h4-7,15H,3,8-11H2,1-2H3,(H2,16,17,22)/p+1