5-bromanyl-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H28BrN3O4S2 MolecularWeight: 590.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H28BrN3O4S2/c1-26(2,3)30-36(32,33)21-12-10-20(11-13-21)28-25(35)29-24(31)22-17-19(27)9-14-23(22)34-16-15-18-7-5-4-6-8-18/h4-14,17,30H,15-16H2,1-3H3,(H2,28,29,31,35)