ethyl 4-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-ethoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C19H19BrN2O4S/c1-3-25-16-10-7-13(20)11-15(16)17(23)22-19(27)21-14-8-5-12(6-9-14)18(24)26-4-2/h5-11H,3-4H2,1-2H3,(H2,21,22,23,27)