3-bromanyl-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-4-methyl-N-[[4-(sec-butylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-4-methyl-N-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C19H22BrN3O3S2 MolecularWeight: 484.43028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C19H22BrN3O3S2/c1-4-13(3)23-28(25,26)16-9-7-15(8-10-16)21-19(27)22-18(24)14-6-5-12(2)17(20)11-14/h5-11,13,23H,4H2,1-3H3,(H2,21,22,24,27)