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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-ethylimidazol-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-ethylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(1-ethyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-ethylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(1-ethylimidazol-2-yl)thio]acetyl]piperazino]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1SCC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C=CN=C1SCC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H29N5O2S/c1-4-25-9-8-22-21(25)29-15-19(28)26-12-10-24(11-13-26)14-18(27)23-20-16(2)6-5-7-17(20)3/h5-9H,4,10-15H2,1-3H3,(H,23,27)