3-bromanyl-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[4-(sec-butylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C26H28BrN3O4S2 MolecularWeight: 590.55222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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