5-bromanyl-N-[(2-phenylethanoylamino)carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-phenylethanoylamino)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[(2-phenylacetyl)amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[(2-phenylacetyl)amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[(2-phenylacetyl)amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H20BrN3O3S/c1-2-10-26-16-9-8-14(20)12-15(16)18(25)21-19(27)23-22-17(24)11-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,22,24)(H2,21,23,25,27)