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

Systemtic Name: N-[2-(1H-indol-6-yl)-1-piperidin-3-yl-ethyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(1H-indol-6-yl)-1-(3-piperidyl)ethyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(1H-indol-6-yl)-1-(3-piperidinyl)ethyl]-2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-(1H-indol-6-yl)-1-piperidin-3-ylethyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[2-(1H-indol-6-yl)-1-(3-piperidyl)ethyl]-2-[[5-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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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)C=CN4)C5CCCNC5

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O2S/c1-35-24-8-6-20(7-9-24)23-16-31-28(32-17-23)36-18-27(34)33-26(22-3-2-11-29-15-22)14-19-4-5-21-10-12-30-25(21)13-19/h4-10,12-13,16-17,22,26,29-30H,2-3,11,14-15,18H2,1H3,(H,33,34)