2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[4-(p-tolyl)thiazol-2-yl]acetamide CAS Name: 2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-N-[4-(4-methylphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-isovalerylpiperazino)-N-[4-(p-tolyl)thiazol-2-yl]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C21H28N4O2S/c1-15(2)12-20(27)25-10-8-24(9-11-25)13-19(26)23-21-22-18(14-28-21)17-6-4-16(3)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,26)