2-pentoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-pentoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-pentoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: 2-pentoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-amoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-3-4-10-18-34-25-17-9-8-16-24(25)27(33)31-28(35)30-23-15-11-14-22(19-23)26(32)29-20(2)21-12-6-5-7-13-21/h5-9,11-17,19-20H,3-4,10,18H2,1-2H3,(H,29,32)(H2,30,31,33,35)