N-[(3-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide

Systemtic Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide Openeye Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-phenethyl-piperidine-3-carboxamide CAS Name: N-[[3-(methylthio)phenyl]methyl]-6-oxo-1-phenethyl-3-piperidinecarboxamide IUPAC Name: N-[(3-methylsulfanylphenyl)methyl]-6-oxo-1-phenethylpiperidine-3-carboxamide Traditional Name: 6-keto-N-[3-(methylthio)benzyl]-1-phenethyl-nipecotamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-27-20-9-5-8-18(14-20)15-23-22(26)19-10-11-21(25)24(16-19)13-12-17-6-3-2-4-7-17/h2-9,14,19H,10-13,15-16H2,1H3,(H,23,26)