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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[methyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H30BrN3O4S2 MolecularWeight: 604.5788

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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)N(C)C3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H30BrN3O4S2/c1-3-4-5-9-18-35-25-17-12-20(19-24(25)28)26(32)30-27(36)29-21-13-15-23(16-14-21)37(33,34)31(2)22-10-7-6-8-11-22/h6-8,10-17,19H,3-5,9,18H2,1-2H3,(H2,29,30,32,36)