ethyl 4-(pyridin-1-ium-2-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(pyridin-1-ium-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(pyridin-1-ium-2-ylcarbamothioylamino)benzoate CAS Name: 4-[[(2-pyridin-1-iumylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-1-ium-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(pyridin-1-ium-2-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C15H16N3O2S+ MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2S/c1-2-20-14(19)11-6-8-12(9-7-11)17-15(21)18-13-5-3-4-10-16-13/h3-10H,2H2,1H3,(H2,16,17,18,21)/p+1