1-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(3,4-dimethoxyphenyl)thio]acetyl]isonipecotamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)N)OC

InChI

InChI=1S/C16H22N2O4S/c1-21-13-4-3-12(9-14(13)22-2)23-10-15(19)18-7-5-11(6-8-18)16(17)20/h3-4,9,11H,5-8,10H2,1-2H3,(H2,17,20)