2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-[2-(1H-indol-6-yl)-1-piperidin-3-yl-ethyl]ethanamide

Systemtic Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-[2-(1H-indol-6-yl)-1-piperidin-3-yl-ethyl]ethanamide Openeye Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-[2-(1H-indol-6-yl)-1-(3-piperidyl)ethyl]acetamide CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-2-pyrimidinyl]thio]-N-[2-(1H-indol-6-yl)-1-(3-piperidinyl)ethyl]acetamide IUPAC Name: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl-N-[2-(1H-indol-6-yl)-1-piperidin-3-ylethyl]acetamide Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]thio]-N-[2-(1H-indol-6-yl)-1-(3-piperidyl)ethyl]acetamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2)SCC(=O)NC(CC3=CC4=C(C=C3)C=CN4)C5CCCNC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2)SCC(=O)NC(CC3=CC4=C(C=C3)C=CN4)C5CCCNC5)OC

InChI

InChI=1S/C29H33N5O3S/c1-36-26-8-7-21(14-27(26)37-2)23-16-32-29(33-17-23)38-18-28(35)34-25(22-4-3-10-30-15-22)13-19-5-6-20-9-11-31-24(20)12-19/h5-9,11-12,14,16-17,22,25,30-31H,3-4,10,13,15,18H2,1-2H3,(H,34,35)