N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-piperonylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O3S/c1-4-15-7-5-8-19-20(15)23-22(29-19)25(12-6-11-24(2)3)21(26)16-9-10-17-18(13-16)28-14-27-17/h5,7-10,13H,4,6,11-12,14H2,1-3H3