N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide hydrochloride

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide hydrochloride Openeye Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide hydrochloride CAS Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide hydrochloride IUPAC Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide hydrochloride Traditional Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-piperonylamide hydrochloride Formula: C21H23ClFN3O3S MolecularWeight: 451.942023

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=C(C=C3)OCO4.Cl

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C21H22FN3O3S.ClH/c1-3-24(4-2)10-11-25(21-23-19-15(22)6-5-7-18(19)29-21)20(26)14-8-9-16-17(12-14)28-13-27-16;/h5-9,12H,3-4,10-11,13H2,1-2H3;1H