1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide

Systemtic Name: 1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide Openeye Name: 1-[[5-(3,5-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-N-(2-pyridyl)piperidine-3-carboxamide CAS Name: 1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-(2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: 1-[[5-(3,5-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-N-pyridin-2-ylpiperidine-3-carboxamide Traditional Name: 1-[[5-(3,5-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-N-(2-pyridyl)nipecotamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)CN3CCCC(C3)C(=O)NC4=CC=CC=N4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)CN3CCCC(C3)C(=O)NC4=CC=CC=N4)OC

InChI

InChI=1S/C22H25N5O4S/c1-29-17-10-16(11-18(12-17)30-2)21-25-27(22(32)31-21)14-26-9-5-6-15(13-26)20(28)24-19-7-3-4-8-23-19/h3-4,7-8,10-12,15H,5-6,9,13-14H2,1-2H3,(H,23,24,28)