3-bromanyl-N-[(2-ethoxyethanoylamino)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-ethoxyethanoylamino)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[(2-ethoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[(2-ethoxyacetyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-2-27-13-18(25)23-24-20(29)22-19(26)15-8-9-17(16(21)12-15)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)