3-bromanyl-4-butoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O5S2 MolecularWeight: 570.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3)Br

InChI

InChI=1S/C23H28BrN3O5S2/c1-2-3-12-32-21-11-6-16(14-20(21)24)22(28)27-23(33)26-17-7-9-19(10-8-17)34(29,30)25-15-18-5-4-13-31-18/h6-11,14,18,25H,2-5,12-13,15H2,1H3,(H2,26,27,28,33)