N-[3-(propanoylamino)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[3-(propanoylamino)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[3-(propanoylamino)phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[3-(1-oxopropylamino)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[3-(propanoylamino)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(3-propionamidophenyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C22H20N2O2S MolecularWeight: 376.4714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C22H20N2O2S/c1-2-20(25)23-16-7-5-8-17(13-16)24-22(26)19-12-15-11-10-14-6-3-4-9-18(14)21(15)27-19/h3-9,12-13H,2,10-11H2,1H3,(H,23,25)(H,24,26)