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

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(1,2-diphenylethyl)benzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-(1,2-diphenylethyl)benzamide Formula: C31H31ClN4OS MolecularWeight: 543.12204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H31ClN4OS/c32-28-21-29(36-17-8-3-9-18-36)35-31(34-28)38-22-24-13-10-16-26(19-24)30(37)33-27(25-14-6-2-7-15-25)20-23-11-4-1-5-12-23/h1-2,4-7,10-16,19,21,27H,3,8-9,17-18,20,22H2,(H,33,37)