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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-N-(phenylmethyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-benzyl-N-phenethyl-benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-phenethyl-N-(phenylmethyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-benzyl-N-phenethylbenzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-benzyl-N-phenethyl-benzamide Formula: C40H39ClN4O2S MolecularWeight: 675.28126

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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)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C40H39ClN4O2S/c1-30(46)40(35-18-9-4-10-19-35)21-24-44(25-22-40)37-27-36(41)42-39(43-37)48-29-33-16-11-17-34(26-33)38(47)45(28-32-14-7-3-8-15-32)23-20-31-12-5-2-6-13-31/h2-19,26-27H,20-25,28-29H2,1H3