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

Systemtic Name: dimethyl-[2-[2-[(4-nitrophenyl)amino]ethylcarbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[2-(4-nitroanilino)ethylcarbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[2-(4-nitroanilino)ethylamino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[2-(4-nitroanilino)ethylcarbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[2-(4-nitroanilino)ethylthiocarbamoylamino]ethyl]ammonium Formula: C13H22N5O2S+ MolecularWeight: 312.41108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O2S/c1-17(2)10-9-16-13(21)15-8-7-14-11-3-5-12(6-4-11)18(19)20/h3-6,14H,7-10H2,1-2H3,(H2,15,16,21)/p+1