3-[[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(5-chloro-2-hydroxy-benzoyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(5-chloro-2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(5-chloro-2-hydroxy-benzoyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H20ClN4O2S+ MolecularWeight: 331.8415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN4O2S/c1-18(2)7-3-6-15-13(21)17-16-12(20)10-8-9(14)4-5-11(10)19/h4-5,8,19H,3,6-7H2,1-2H3,(H,16,20)(H2,15,17,21)/p+1