2-(cyanomethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 2-(cyanomethylthio)-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=CC=C2SCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=CC=C2SCC#N

InChI

InChI=1S/C18H18N2O4S/c1-22-14-10-12(11-15(23-2)17(14)24-3)20-18(21)13-6-4-5-7-16(13)25-9-8-19/h4-7,10-11H,9H2,1-3H3,(H,20,21)