N-[[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-4-methoxy-phenyl]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-4-methoxy-phenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-4-methoxy-phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-4-methoxy-phenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C20H22BrN3O5S2 MolecularWeight: 528.43978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3CC3)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3CC3)OC)Br

InChI

InChI=1S/C20H22BrN3O5S2/c1-3-29-16-8-7-14(10-15(16)21)24-31(26,27)18-11-13(6-9-17(18)28-2)22-20(30)23-19(25)12-4-5-12/h6-12,24H,3-5H2,1-2H3,(H2,22,23,25,30)