N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-yl-ethyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-yl-ethyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidyl)ethyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidinyl)ethyl]-2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-1-piperidin-3-ylethyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-1-(3-piperidyl)ethyl]-2-[[5-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NC(CC3=CC4=C(C=C3)OCO4)C5CCCNC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NC(CC3=CC4=C(C=C3)OCO4)C5CCCNC5

InChI

InChI=1S/C27H30N4O4S/c1-33-22-7-5-19(6-8-22)21-14-29-27(30-15-21)36-16-26(32)31-23(20-3-2-10-28-13-20)11-18-4-9-24-25(12-18)35-17-34-24/h4-9,12,14-15,20,23,28H,2-3,10-11,13,16-17H2,1H3,(H,31,32)