methyl 4-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-bromofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-furoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H11BrN2O4S MolecularWeight: 383.21714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C14H11BrN2O4S/c1-20-13(19)8-2-4-9(5-3-8)16-14(22)17-12(18)10-6-7-11(15)21-10/h2-7H,1H3,(H2,16,17,18,22)