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

Systemtic Name: 3-bromanyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H28BrN3O5S2 MolecularWeight: 594.54092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C25H28BrN3O5S2/c1-2-3-4-5-14-34-23-13-8-18(16-22(23)26)24(30)29-25(35)28-19-9-11-21(12-10-19)36(31,32)27-17-20-7-6-15-33-20/h6-13,15-16,27H,2-5,14,17H2,1H3,(H2,28,29,30,35)