methyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(1H-imidazol-5-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(1H-imidazol-5-yl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CN=CN2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CN=CN2

InChI

InChI=1S/C14H16N4O2S/c1-20-13(19)10-2-4-11(5-3-10)18-14(21)16-7-6-12-8-15-9-17-12/h2-5,8-9H,6-7H2,1H3,(H,15,17)(H2,16,18,21)