N-(3-methoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]propanamide

Systemtic Name: N-(3-methoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]propanamide Openeye Name: N-(3-methoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-piperidyl]propanamide CAS Name: N-(3-methoxyphenyl)-3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidinyl]propanamide IUPAC Name: N-(3-methoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]propanamide Traditional Name: N-(3-methoxyphenyl)-3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-4-piperidyl]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCC2CCN(CC2)CC3=CN=C(N=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCC2CCN(CC2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C21H28N4O2S/c1-27-19-5-3-4-18(12-19)24-20(26)7-6-16-8-10-25(11-9-16)15-17-13-22-21(28-2)23-14-17/h3-5,12-14,16H,6-11,15H2,1-2H3,(H,24,26)