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

Systemtic Name: N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-2-(5-phenylpyrimidin-2-yl)ethanethioamide Openeye Name: N-[1-[(4-iodophenyl)methyl]-4-piperidyl]-2-(5-phenylpyrimidin-2-yl)thioacetamide CAS Name: N-[1-[(4-iodophenyl)methyl]-4-piperidinyl]-2-(5-phenyl-2-pyrimidinyl)ethanethioamide IUPAC Name: N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-2-(5-phenylpyrimidin-2-yl)ethanethioamide Traditional Name: N-[1-(4-iodobenzyl)-4-piperidyl]-2-(5-phenylpyrimidin-2-yl)thioacetamide Formula: C24H25IN4S MolecularWeight: 528.45157

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)CC2=NC=C(C=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)I

Isomeric SMILES

C1CN(CCC1NC(=S)CC2=NC=C(C=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)I

InChI

InChI=1S/C24H25IN4S/c25-21-8-6-18(7-9-21)17-29-12-10-22(11-13-29)28-24(30)14-23-26-15-20(16-27-23)19-4-2-1-3-5-19/h1-9,15-16,22H,10-14,17H2,(H,28,30)