3-bromanyl-4-methoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(2-phenoxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

InChI

InChI=1S/C17H16BrN3O4S/c1-24-14-8-7-11(9-13(14)18)16(23)19-17(26)21-20-15(22)10-25-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,22)(H2,19,21,23,26)