3-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(4-chlorophenyl)thiocarbamoylamino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H21ClN5S2+ MolecularWeight: 346.92234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=S)NC1=CC=C(C=C1)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=S)NC1=CC=C(C=C1)Cl

InChI

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