N-(2-cyclohexyl-1-piperidin-3-yl-ethyl)-2-[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyclohexyl-1-piperidin-3-yl-ethyl)-2-[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]sulfanyl-ethanamide Openeye Name: N-[2-cyclohexyl-1-(3-piperidyl)ethyl]-2-[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]sulfanyl-acetamide CAS Name: N-[2-cyclohexyl-1-(3-piperidinyl)ethyl]-2-[[4-(4,5-dimethoxy-2-pyrimidinyl)phenyl]thio]acetamide IUPAC Name: N-(2-cyclohexyl-1-piperidin-3-ylethyl)-2-[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]sulfanylacetamide Traditional Name: N-[2-cyclohexyl-1-(3-piperidyl)ethyl]-2-[[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]thio]acetamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1OC)C2=CC=C(C=C2)SCC(=O)NC(CC3CCCCC3)C4CCCNC4

Isomeric SMILES

COC1=CN=C(N=C1OC)C2=CC=C(C=C2)SCC(=O)NC(CC3CCCCC3)C4CCCNC4

InChI

InChI=1S/C27H38N4O3S/c1-33-24-17-29-26(31-27(24)34-2)20-10-12-22(13-11-20)35-18-25(32)30-23(21-9-6-14-28-16-21)15-19-7-4-3-5-8-19/h10-13,17,19,21,23,28H,3-9,14-16,18H2,1-2H3,(H,30,32)