3-[[(3-hydroxyphenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3-hydroxyphenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3-hydroxybenzoyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(3-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3-hydroxybenzoyl)amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(3-hydroxybenzoyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H21N4O2S+ MolecularWeight: 297.39644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2S/c1-17(2)8-4-7-14-13(20)16-15-12(19)10-5-3-6-11(18)9-10/h3,5-6,9,18H,4,7-8H2,1-2H3,(H,15,19)(H2,14,16,20)/p+1