N-(4-methoxy-2-methyl-phenyl)-3-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-3-[1-[2-(2-pyridylsulfanyl)acetyl]-3-piperidyl]propanamide CAS Name: N-(4-methoxy-2-methylphenyl)-3-[1-[1-oxo-2-(2-pyridinylthio)ethyl]-3-piperidinyl]propanamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-3-[1-[2-(2-pyridylthio)acetyl]-3-piperidyl]propionamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCCN(C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCCN(C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C23H29N3O3S/c1-17-14-19(29-2)9-10-20(17)25-21(27)11-8-18-6-5-13-26(15-18)23(28)16-30-22-7-3-4-12-24-22/h3-4,7,9-10,12,14,18H,5-6,8,11,13,15-16H2,1-2H3,(H,25,27)