2-[[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3-chloro-2-methyl-phenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3-chloro-2-methylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H21ClN5S2+ MolecularWeight: 346.92234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C13H20ClN5S2/c1-9-10(14)5-4-6-11(9)16-13(21)18-17-12(20)15-7-8-19(2)3/h4-6H,7-8H2,1-3H3,(H2,15,17,20)(H2,16,18,21)/p+1