3-bromanyl-4-ethoxy-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H20BrN3O5S2 MolecularWeight: 538.4346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C21H20BrN3O5S2/c1-2-29-19-10-5-14(12-18(19)22)20(26)25-21(31)24-15-6-8-17(9-7-15)32(27,28)23-13-16-4-3-11-30-16/h3-12,23H,2,13H2,1H3,(H2,24,25,26,31)