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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(diphenylmethyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-benzhydryl-benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(diphenylmethyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-benzhydrylbenzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-benzhydryl-benzamide Formula: C38H35ClN4O2S MolecularWeight: 647.2281

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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)NC(C4=CC=CC=C4)C5=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)NC(C4=CC=CC=C4)C5=CC=CC=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C38H35ClN4O2S/c1-27(44)38(32-18-9-4-10-19-32)20-22-43(23-21-38)34-25-33(39)40-37(41-34)46-26-28-12-11-17-31(24-28)36(45)42-35(29-13-5-2-6-14-29)30-15-7-3-8-16-30/h2-19,24-25,35H,20-23,26H2,1H3,(H,42,45)