N-(2,6-dimethylphenyl)-2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]piperazino]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O2S/c1-19-8-7-9-20(2)26(19)30-24(33)17-31-12-14-32(15-13-31)25(34)18-35-27-28-21(3)16-23(29-27)22-10-5-4-6-11-22/h4-11,16H,12-15,17-18H2,1-3H3,(H,30,33)