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

Systemtic Name: N-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(3,4,5-trimethoxybenzyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C23H23NO4S/c1-26-18-10-14(11-19(27-2)21(18)28-3)13-24-23(25)20-12-16-9-8-15-6-4-5-7-17(15)22(16)29-20/h4-7,10-12H,8-9,13H2,1-3H3,(H,24,25)