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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

InChI

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