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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27N3O4S/c1-3-5-9-22-20(25)16-13-29-19(23-16)12-24(10-6-4-2)21(26)15-7-8-17-18(11-15)28-14-27-17/h7-8,11,13H,3-6,9-10,12,14H2,1-2H3,(H,22,25)