N-(2-methoxyphenyl)-1-[4-(methylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-[4-(methylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-[4-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-[4-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(2-methoxyphenyl)-1-[4-[(methylthio)methyl]benzoyl]isonipecotamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC

InChI

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