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

Systemtic Name: N-(2-cyclopentyl-1-piperidin-3-yl-ethyl)-2-[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]sulfanyl-ethanamide Openeye Name: N-[2-cyclopentyl-1-(3-piperidyl)ethyl]-2-[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]sulfanyl-acetamide CAS Name: N-[2-cyclopentyl-1-(3-piperidinyl)ethyl]-2-[[4-(4,5-dimethoxy-2-pyrimidinyl)phenyl]thio]acetamide IUPAC Name: N-(2-cyclopentyl-1-piperidin-3-ylethyl)-2-[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]sulfanylacetamide Traditional Name: N-[2-cyclopentyl-1-(3-piperidyl)ethyl]-2-[[4-(4,5-dimethoxypyrimidin-2-yl)phenyl]thio]acetamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1OC)C2=CC=C(C=C2)SCC(=O)NC(CC3CCCC3)C4CCCNC4

Isomeric SMILES

COC1=CN=C(N=C1OC)C2=CC=C(C=C2)SCC(=O)NC(CC3CCCC3)C4CCCNC4

InChI

InChI=1S/C26H36N4O3S/c1-32-23-16-28-25(30-26(23)33-2)19-9-11-21(12-10-19)34-17-24(31)29-22(14-18-6-3-4-7-18)20-8-5-13-27-15-20/h9-12,16,18,20,22,27H,3-8,13-15,17H2,1-2H3,(H,29,31)