5-bromanyl-N-[(2-ethoxyethanoylamino)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-ethoxyethanoylamino)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[(2-ethoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[(2-ethoxyacetyl)amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

Isomeric SMILES

CCOCC(=O)NNC(=S)NC(=O)C1=C(C=CC(=C1)Br)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22BrN3O4S/c1-2-27-13-18(25)23-24-20(29)22-19(26)16-12-15(21)8-9-17(16)28-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,23,25)(H2,22,24,26,29)