2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H21ClN3S2+ MolecularWeight: 318.90894

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

C[NH+](C)CCNC(=S)NCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H20ClN3S2/c1-17(2)9-7-15-13(18)16-8-10-19-12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3,(H2,15,16,18)/p+1