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

Systemtic Name: ethyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(1H-imidazol-5-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(1H-imidazol-5-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S/c1-2-21-14(20)11-3-5-12(6-4-11)19-15(22)17-8-7-13-9-16-10-18-13/h3-6,9-10H,2,7-8H2,1H3,(H,16,18)(H2,17,19,22)