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

Systemtic Name: 3-bromanyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-(allylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(allylsulfamoyl)phenyl]thiocarbamoyl]-3-bromo-4-propoxy-benzamide Formula: C20H22BrN3O4S2 MolecularWeight: 512.44038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC=C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC=C)Br

InChI

InChI=1S/C20H22BrN3O4S2/c1-3-11-22-30(26,27)16-8-6-15(7-9-16)23-20(29)24-19(25)14-5-10-18(17(21)13-14)28-12-4-2/h3,5-10,13,22H,1,4,11-12H2,2H3,(H2,23,24,25,29)