3-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C11H19BrN5OS+ MolecularWeight: 349.27046

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=CN1)Br

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C11H18BrN5OS/c1-17(2)5-3-4-13-11(19)16-15-10(18)9-6-8(12)7-14-9/h6-7,14H,3-5H2,1-2H3,(H,15,18)(H2,13,16,19)/p+1