N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclopropanecarboxamide Formula: C22H23BrN4O4S MolecularWeight: 519.41142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Br

InChI

InChI=1S/C22H23BrN4O4S/c1-2-13-3-10-18(17(23)11-13)31-12-19(28)25-22(32)27-26-21(30)15-6-8-16(9-7-15)24-20(29)14-4-5-14/h3,6-11,14H,2,4-5,12H2,1H3,(H,24,29)(H,26,30)(H2,25,27,28,32)