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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(3,3-diphenylpropyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(3,3-diphenylpropyl)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)NCCC(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)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl)C6=CC=CC=C6

InChI

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