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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(4-m-anisoylpiperazino)phenyl]acetamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3S/c1-18-15-19(2)28-26(27-18)35-17-24(32)29-21-7-9-22(10-8-21)30-11-13-31(14-12-30)25(33)20-5-4-6-23(16-20)34-3/h4-10,15-16H,11-14,17H2,1-3H3,(H,29,32)