2-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(2-morpholinoethyl)amino]methyl]-N-ethyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(4-morpholinyl)ethyl]amino]methyl]-N-ethyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-thiazole-4-carboxamide Traditional Name: N-ethyl-2-[[2-morpholinoethyl(piperonyl)amino]methyl]thiazole-4-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CSC(=N1)CN(CCN2CCOCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCNC(=O)C1=CSC(=N1)CN(CCN2CCOCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O4S/c1-2-22-21(26)17-14-30-20(23-17)13-25(6-5-24-7-9-27-10-8-24)12-16-3-4-18-19(11-16)29-15-28-18/h3-4,11,14H,2,5-10,12-13,15H2,1H3,(H,22,26)