3,4,5-trimethoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[5-(phenacylthio)-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[5-(phenacylthio)-1,3,4-oxadiazol-2-yl]methyl]benzamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O6S/c1-27-16-9-14(10-17(28-2)19(16)29-3)20(26)22-11-18-23-24-21(30-18)31-12-15(25)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,22,26)