N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-piperonylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

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