2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(4-m-toluoylpiperazino)phenyl]acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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