N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclohexanecarboxamide Formula: C23H25BrN4O4S MolecularWeight: 533.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H25BrN4O4S/c24-17-8-12-19(13-9-17)32-14-20(29)26-23(33)28-27-22(31)16-6-10-18(11-7-16)25-21(30)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,25,30)(H,27,31)(H2,26,28,29,33)