N-[2-[4-bromanyl-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-5-tert-butyl-2-methoxy-benzamide

Systemtic Name: N-[2-[4-bromanyl-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-5-tert-butyl-2-methoxy-benzamide Openeye Name: N-[2-[4-bromo-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-5-tert-butyl-2-methoxy-benzamide CAS Name: N-[2-[4-bromo-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-5-tert-butyl-2-methoxybenzamide IUPAC Name: N-[2-[4-bromo-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-5-tert-butyl-2-methoxybenzamide Traditional Name: N-[2-[4-bromo-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]-5-tert-butyl-2-methoxy-benzamide Formula: C22H28BrN3O4S2 MolecularWeight: 542.50942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)C(=O)NCCC2=CC(=C(C=C2)Br)S(=O)(=O)NC(=S)NC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)C(=O)NCCC2=CC(=C(C=C2)Br)S(=O)(=O)NC(=S)NC

InChI

InChI=1S/C22H28BrN3O4S2/c1-22(2,3)15-7-9-18(30-5)16(13-15)20(27)25-11-10-14-6-8-17(23)19(12-14)32(28,29)26-21(31)24-4/h6-9,12-13H,10-11H2,1-5H3,(H,25,27)(H2,24,26,31)