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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(4-p-toluoylpiperazino)phenyl]acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C26H29N5O2S/c1-18-4-6-21(7-5-18)25(33)31-14-12-30(13-15-31)23-10-8-22(9-11-23)29-24(32)17-34-26-27-19(2)16-20(3)28-26/h4-11,16H,12-15,17H2,1-3H3,(H,29,32)