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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br

InChI

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