3-bromanyl-4-butoxy-N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[[4-(benzylsulfamoyl)phenyl]thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C25H26BrN3O4S2 MolecularWeight: 576.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H26BrN3O4S2/c1-2-3-15-33-23-14-9-19(16-22(23)26)24(30)29-25(34)28-20-10-12-21(13-11-20)35(31,32)27-17-18-7-5-4-6-8-18/h4-14,16,27H,2-3,15,17H2,1H3,(H2,28,29,30,34)