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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C26H28BrN3O3S2 MolecularWeight: 574.55282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C26H28BrN3O3S2/c1-26(2,3)22-14-9-19(17-23(22)27)24(31)30-25(34)29-20-10-12-21(13-11-20)35(32,33)28-16-15-18-7-5-4-6-8-18/h4-14,17,28H,15-16H2,1-3H3,(H2,29,30,31,34)