2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-isobutyl-thiazole-4-carboxamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N-(2-methylpropyl)-4-thiazolecarboxamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: N-isobutyl-2-[(4-piperonylpiperazino)methyl]thiazole-4-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CSC(=N1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CNC(=O)C1=CSC(=N1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O3S/c1-15(2)10-22-21(26)17-13-29-20(23-17)12-25-7-5-24(6-8-25)11-16-3-4-18-19(9-16)28-14-27-18/h3-4,9,13,15H,5-8,10-12,14H2,1-2H3,(H,22,26)