3-(pyrazin-2-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

Systemtic Name: 3-(pyrazin-2-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 3-(pyrazin-2-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 3-[(2-pyrazinylthio)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 3-(pyrazin-2-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 3-[(pyrazin-2-ylthio)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3

InChI

InChI=1S/C21H21N3O4S/c1-26-17-10-16(11-18(27-2)20(17)28-3)24-21(25)15-6-4-5-14(9-15)13-29-19-12-22-7-8-23-19/h4-12H,13H2,1-3H3,(H,24,25)