4-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: 4-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-amoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

InChI

InChI=1S/C22H27N3O3S/c1-3-5-6-14-28-19-12-10-16(11-13-19)21(27)25-22(29)24-18-9-7-8-17(15-18)23-20(26)4-2/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)(H2,24,25,27,29)