N-[(4-methylsulfanylphenyl)methyl]-1-(2-phenylpyridin-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-(2-phenylpyridin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-(2-phenylpyridine-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-[oxo-(2-phenyl-4-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(2-phenylpyridine-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-1-(2-phenylisonicotinoyl)isonipecotamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-32-23-9-7-19(8-10-23)18-28-25(30)21-12-15-29(16-13-21)26(31)22-11-14-27-24(17-22)20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,28,30)