4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-tert-butyl-1,3-thiazole

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-tert-butyl-1,3-thiazole Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-tert-butyl-thiazole CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-tert-butylthiazole IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-tert-butyl-1,3-thiazole Traditional Name: 2-tert-butyl-4-[(4-piperonylpiperazino)methyl]thiazole Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N3O2S/c1-20(2,3)19-21-16(13-26-19)12-23-8-6-22(7-9-23)11-15-4-5-17-18(10-15)25-14-24-17/h4-5,10,13H,6-9,11-12,14H2,1-3H3