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

Systemtic Name: 3-bromanyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O5S2 MolecularWeight: 618.56232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C27H28BrN3O5S2/c28-24-17-20(8-13-25(24)36-16-14-19-5-2-1-3-6-19)26(32)31-27(37)30-21-9-11-23(12-10-21)38(33,34)29-18-22-7-4-15-35-22/h1-3,5-6,8-13,17,22,29H,4,7,14-16,18H2,(H2,30,31,32,37)