N-tert-butyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[(2,4,6-trimethylphenyl)thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(mesitylthio)acetyl]piperazino]acetamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C)C

InChI

InChI=1S/C21H33N3O2S/c1-15-11-16(2)20(17(3)12-15)27-14-19(26)24-9-7-23(8-10-24)13-18(25)22-21(4,5)6/h11-12H,7-10,13-14H2,1-6H3,(H,22,25)