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

Systemtic Name: 3-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-chlorobenzoyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-chlorobenzoyl)amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(4-chlorobenzoyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H20ClN4OS+ MolecularWeight: 315.8421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN4OS/c1-18(2)9-3-8-15-13(20)17-16-12(19)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,16,19)(H2,15,17,20)/p+1