1-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: 1-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]-N-phenethyl-piperidine-3-carboxamide Openeye Name: 1-[1-(2-methylsulfanylacetyl)-4-piperidyl]-N-phenethyl-piperidine-3-carboxamide CAS Name: 1-[1-[2-(methylthio)-1-oxoethyl]-4-piperidinyl]-N-phenethyl-3-piperidinecarboxamide IUPAC Name: 1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-N-phenethylpiperidine-3-carboxamide Traditional Name: 1-[1-[2-(methylthio)acetyl]-4-piperidyl]-N-phenethyl-nipecotamide Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-28-17-21(26)24-14-10-20(11-15-24)25-13-5-8-19(16-25)22(27)23-12-9-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)