N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-3-13-5-10-17(16(21)11-13)28-12-18(25)23-24-20(29)22-19(26)14-6-8-15(9-7-14)27-4-2/h5-11H,3-4,12H2,1-2H3,(H,23,25)(H2,22,24,26,29)