ethyl 4-[(6-azanylpyridin-1-ium-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(6-azanylpyridin-1-ium-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(6-aminopyridin-1-ium-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(6-amino-2-pyridin-1-iumyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-aminopyridin-1-ium-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(6-aminopyridin-1-ium-2-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H17N4O2S+ MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=[NH+]2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=[NH+]2)N

InChI

InChI=1S/C15H16N4O2S/c1-2-21-14(20)10-6-8-11(9-7-10)17-15(22)19-13-5-3-4-12(16)18-13/h3-9H,2H2,1H3,(H4,16,17,18,19,22)/p+1