2-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]methyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]methyl]-1-piperazinyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]methyl]piperazino]-N-tert-butyl-acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)23-19(26)11-24-6-8-25(9-7-24)12-20-22-16(13-29-20)15-4-5-17-18(10-15)28-14-27-17/h4-5,10,13H,6-9,11-12,14H2,1-3H3,(H,23,26)