(3R)-1-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3R)-1-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6-oxo-piperidine-3-carboxamide CAS Name: (3R)-1-[(2-methoxyphenyl)methyl]-N-[[4-(methylthio)phenyl]methyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide Traditional Name: (3R)-6-keto-N-[4-(methylthio)benzyl]-1-o-anisyl-nipecotamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CC(CCC2=O)C(=O)NCC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=CC=C1CN2C[C@@H](CCC2=O)C(=O)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O3S/c1-27-20-6-4-3-5-17(20)14-24-15-18(9-12-21(24)25)22(26)23-13-16-7-10-19(28-2)11-8-16/h3-8,10-11,18H,9,12-15H2,1-2H3,(H,23,26)/t18-/m1/s1