3-bromanyl-4-hexoxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(allylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(allylsulfamoyl)phenyl]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C23H28BrN3O4S2 MolecularWeight: 554.52012

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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)NCC=C)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O4S2/c1-3-5-6-7-15-31-21-13-8-17(16-20(21)24)22(28)27-23(32)26-18-9-11-19(12-10-18)33(29,30)25-14-4-2/h4,8-13,16,25H,2-3,5-7,14-15H2,1H3,(H2,26,27,28,32)