tert-butyl N-(1,3-benzodioxol-5-ylcarbonyl)-N-[3-(1,3-thiazol-2-ylmethylamino)propyl]carbamate

Systemtic Name: tert-butyl N-(1,3-benzodioxol-5-ylcarbonyl)-N-[3-(1,3-thiazol-2-ylmethylamino)propyl]carbamate Openeye Name: tert-butyl N-(1,3-benzodioxole-5-carbonyl)-N-[3-(thiazol-2-ylmethylamino)propyl]carbamate CAS Name: N-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[3-(2-thiazolylmethylamino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1,3-benzodioxole-5-carbonyl)-N-[3-(1,3-thiazol-2-ylmethylamino)propyl]carbamate Traditional Name: N-piperonyloyl-N-[3-(thiazol-2-ylmethylamino)propyl]carbamic acid tert-butyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNCC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNCC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N3O5S/c1-20(2,3)28-19(25)23(9-4-7-21-12-17-22-8-10-29-17)18(24)14-5-6-15-16(11-14)27-13-26-15/h5-6,8,10-11,21H,4,7,9,12-13H2,1-3H3