2-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 2-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 2-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: 2-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 2-amoxy-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-2-3-9-16-28-19-13-8-7-12-18(19)21(27)23-22(29)25-24-20(26)15-14-17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3,(H,24,26)(H2,23,25,27,29)