N-[2,3-dihydro-1H-inden-5-yl-(1-methylpiperidin-3-yl)methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,3-dihydro-1H-inden-5-yl-(1-methylpiperidin-3-yl)methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[indan-5-yl-(1-methyl-3-piperidyl)methyl]-2-(5-phenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2,3-dihydro-1H-inden-5-yl-(1-methyl-3-piperidinyl)methyl]-2-[(5-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2,3-dihydro-1H-inden-5-yl-(1-methylpiperidin-3-yl)methyl]-2-(5-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[indan-5-yl-(1-methyl-3-piperidyl)methyl]-2-[(5-phenylpyrimidin-2-yl)thio]acetamide Formula: C28H32N4OS MolecularWeight: 472.64488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(C2=CC3=C(CCC3)C=C2)NC(=O)CSC4=NC=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

CN1CCCC(C1)C(C2=CC3=C(CCC3)C=C2)NC(=O)CSC4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4OS/c1-32-14-6-11-24(18-32)27(23-13-12-21-9-5-10-22(21)15-23)31-26(33)19-34-28-29-16-25(17-30-28)20-7-3-2-4-8-20/h2-4,7-8,12-13,15-17,24,27H,5-6,9-11,14,18-19H2,1H3,(H,31,33)