3-bromanyl-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C25H26BrN3O4S2 MolecularWeight: 576.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H26BrN3O4S2/c1-2-16-33-23-13-8-19(17-22(23)26)24(30)29-25(34)28-20-9-11-21(12-10-20)35(31,32)27-15-14-18-6-4-3-5-7-18/h3-13,17,27H,2,14-16H2,1H3,(H2,28,29,30,34)