dimethyl 5-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H17BrN2O6S MolecularWeight: 517.34918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C22H17BrN2O6S/c1-29-20(27)13-9-14(21(28)30-2)11-16(10-13)24-22(32)25-19(26)18-8-7-17(31-18)12-3-5-15(23)6-4-12/h3-11H,1-2H3,(H2,24,25,26,32)