N-(5-methylpyridin-2-yl)-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxamide

Systemtic Name: N-(5-methylpyridin-2-yl)-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxamide Openeye Name: N-(5-methyl-2-pyridyl)-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxamide CAS Name: N-(5-methyl-2-pyridinyl)-1-[1-oxo-3-(phenylthio)propyl]-3-piperidinecarboxamide IUPAC Name: N-(5-methylpyridin-2-yl)-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxamide Traditional Name: N-(5-methyl-2-pyridyl)-1-[3-(phenylthio)propanoyl]nipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)C2CCCN(C2)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)C2CCCN(C2)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-16-9-10-19(22-14-16)23-21(26)17-6-5-12-24(15-17)20(25)11-13-27-18-7-3-2-4-8-18/h2-4,7-10,14,17H,5-6,11-13,15H2,1H3,(H,22,23,26)