3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C31H30ClN5O2S MolecularWeight: 572.1202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H30ClN5O2S/c1-22(38)31(26-8-3-2-4-9-26)12-16-37(17-13-31)28-19-27(32)35-30(36-28)40-21-24-6-5-7-25(18-24)29(39)34-20-23-10-14-33-15-11-23/h2-11,14-15,18-19H,12-13,16-17,20-21H2,1H3,(H,34,39)