N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-piperonylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H25N3O3S/c1-14-10-15(2)20-19(11-14)29-22(23-20)25(9-5-8-24(3)4)21(26)16-6-7-17-18(12-16)28-13-27-17/h6-7,10-12H,5,8-9,13H2,1-4H3