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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C31H37ClN4O2S MolecularWeight: 565.16908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)(C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)(C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C31H37ClN4O2S/c1-3-4-5-9-17-33-29(38)25-12-10-11-24(20-25)22-39-30-34-27(32)21-28(35-30)36-18-15-31(16-19-36,23(2)37)26-13-7-6-8-14-26/h6-8,10-14,20-21H,3-5,9,15-19,22H2,1-2H3,(H,33,38)