N-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[[1-(1H-indol-6-ylmethyl)-3-piperidyl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[[1-(1H-indol-6-ylmethyl)-3-piperidinyl]methyl]-2-[(5-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]-2-(5-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[[1-(1H-indol-6-ylmethyl)-3-piperidyl]methyl]-2-[(5-phenylpyrimidin-2-yl)thio]acetamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)C=CN3)CNC(=O)CSC4=NC=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2)C=CN3)CNC(=O)CSC4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5OS/c33-26(19-34-27-30-15-24(16-31-27)22-6-2-1-3-7-22)29-14-21-5-4-12-32(18-21)17-20-8-9-23-10-11-28-25(23)13-20/h1-3,6-11,13,15-16,21,28H,4-5,12,14,17-19H2,(H,29,33)