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

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-phenethyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-phenethyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-phenethylbenzamide Traditional Name: N-benzyl-3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-phenethyl-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)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)Cl

InChI

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