ethyl 4-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4S/c1-2-27-20(26)14-5-9-16(10-6-14)23-21(29)24-19(25)18-12-11-17(28-18)13-3-7-15(22)8-4-13/h3-12H,2H2,1H3,(H2,23,24,25,29)