3-(1H-imidazol-3-ium-5-yl)-2-(phenylcarbamothioylamino)propanoate

Systemtic Name: 3-(1H-imidazol-3-ium-5-yl)-2-(phenylcarbamothioylamino)propanoate Openeye Name: 3-(1H-imidazol-3-ium-5-yl)-2-(phenylcarbamothioylamino)propanoate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-(1H-imidazol-3-ium-5-yl)propanoate IUPAC Name: 3-(1H-imidazol-3-ium-5-yl)-2-(phenylcarbamothioylamino)propanoate Traditional Name: 3-(1H-imidazol-3-ium-5-yl)-2-(phenylthiocarbamoylamino)propionate Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(CC2=C[NH+]=CN2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(CC2=C[NH+]=CN2)C(=O)[O-]

InChI

InChI=1S/C13H14N4O2S/c18-12(19)11(6-10-7-14-8-15-10)17-13(20)16-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,14,15)(H,18,19)(H2,16,17,20)