N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(1-methylimidazol-2-yl)thio]acetyl]piperazino]acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C20H27N5O2S/c1-15-5-4-6-16(2)19(15)22-17(26)13-24-9-11-25(12-10-24)18(27)14-28-20-21-7-8-23(20)3/h4-8H,9-14H2,1-3H3,(H,22,26)