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

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(3,3-diphenylpropyl)benzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-(3,3-diphenylpropyl)benzamide Formula: C32H33ClN4OS MolecularWeight: 557.14862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C32H33ClN4OS/c33-29-22-30(37-19-8-3-9-20-37)36-32(35-29)39-23-24-11-10-16-27(21-24)31(38)34-18-17-28(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-2,4-7,10-16,21-22,28H,3,8-9,17-20,23H2,(H,34,38)