N-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxy-phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxy-phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxy-phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxyanilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxy-phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C25H28BrN3O4S2 MolecularWeight: 578.54152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)NC5=CC=C(C=C5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H28BrN3O4S2/c1-33-21-7-6-20(11-22(21)35(31,32)29-19-4-2-18(26)3-5-19)27-24(34)28-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17,29H,8-10,12-14H2,1H3,(H2,27,28,30,34)