ethyl 4-[2-(2-oxidanylideneimidazolidin-1-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-oxidanylideneimidazolidin-1-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(2-oxo-1-imidazolidinyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-oxoimidazolidin-1-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2-ketoimidazolidin-1-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCNC2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCNC2=O

InChI

InChI=1S/C15H20N4O3S/c1-2-22-13(20)11-3-5-12(6-4-11)18-14(23)16-7-9-19-10-8-17-15(19)21/h3-6H,2,7-10H2,1H3,(H,17,21)(H2,16,18,23)