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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(diethylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H28BrN3O4S2 MolecularWeight: 542.50942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O4S2/c1-4-7-14-30-20-13-8-16(15-19(20)23)21(27)25-22(31)24-17-9-11-18(12-10-17)32(28,29)26(5-2)6-3/h8-13,15H,4-7,14H2,1-3H3,(H2,24,25,27,31)