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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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