2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-benzoylpiperazino)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N5O2S/c1-18-16-19(2)27-25(26-18)33-17-23(31)28-21-8-10-22(11-9-21)29-12-14-30(15-13-29)24(32)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,28,31)