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

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]propanamide CAS Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]propanamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]propionamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCCN(C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCCN(C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C22H30N4O2S/c1-16-11-19(28-2)7-8-20(16)25-21(27)9-6-17-5-4-10-26(14-17)15-18-12-23-22(29-3)24-13-18/h7-8,11-13,17H,4-6,9-10,14-15H2,1-3H3,(H,25,27)/t17-/m1/s1