N-tert-butyl-2-[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-[(1-benzylimidazol-2-yl)thio]acetyl]piperazino]-N-tert-butyl-acetamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2S/c1-22(2,3)24-19(28)16-25-11-13-26(14-12-25)20(29)17-30-21-23-9-10-27(21)15-18-7-5-4-6-8-18/h4-10H,11-17H2,1-3H3,(H,24,28)