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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4OC)C

InChI

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