3-bromanyl-4-hexoxy-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(phenylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C26H28BrN3O4S2 MolecularWeight: 590.55222

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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)NC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C26H28BrN3O4S2/c1-2-3-4-8-17-34-24-16-11-19(18-23(24)27)25(31)29-26(35)28-20-12-14-22(15-13-20)36(32,33)30-21-9-6-5-7-10-21/h5-7,9-16,18,30H,2-4,8,17H2,1H3,(H2,28,29,31,35)