3,4,5-trimethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3,4,5-trimethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3,4,5-trimethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3,4,5-trimethoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3,4,5-trimethoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H19N3O5S2 MolecularWeight: 445.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5S2/c1-26-15-9-13(10-16(27-2)17(15)28-3)18(25)21-19-22-23-20(30-19)29-11-14(24)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,21,22,25)