2-[[1,3-benzodioxol-5-ylcarbonyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylcarbonyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxole-5-carbonyl(isobutyl)amino]methyl]-N-isobutyl-thiazole-4-carboxamide CAS Name: 2-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxole-5-carbonyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: N-isobutyl-2-[[isobutyl(piperonyloyl)amino]methyl]thiazole-4-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CSC(=N1)CN(CC(C)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CNC(=O)C1=CSC(=N1)CN(CC(C)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27N3O4S/c1-13(2)8-22-20(25)16-11-29-19(23-16)10-24(9-14(3)4)21(26)15-5-6-17-18(7-15)28-12-27-17/h5-7,11,13-14H,8-10,12H2,1-4H3,(H,22,25)