N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-[(4-iodophenyl)methyl]-4-piperidyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[1-[(4-iodophenyl)methyl]-4-piperidinyl]-2-[(5-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-2-(5-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[1-(4-iodobenzyl)-4-piperidyl]-2-[(5-phenylpyrimidin-2-yl)thio]acetamide Formula: C24H25IN4OS MolecularWeight: 544.45097

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CSC2=NC=C(C=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)I

Isomeric SMILES

C1CN(CCC1NC(=O)CSC2=NC=C(C=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)I

InChI

InChI=1S/C24H25IN4OS/c25-21-8-6-18(7-9-21)16-29-12-10-22(11-13-29)28-23(30)17-31-24-26-14-20(15-27-24)19-4-2-1-3-5-19/h1-9,14-15,22H,10-13,16-17H2,(H,28,30)