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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1,3-benzodioxole-5-carboxamide hydrochloride Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1,3-benzodioxole-5-carboxamide hydrochloride CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1,3-benzodioxole-5-carboxamide hydrochloride IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1,3-benzodioxole-5-carboxamide hydrochloride Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-piperonylamide hydrochloride Formula: C21H23BrClN3O3S MolecularWeight: 512.84762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3S.ClH/c1-3-24(4-2)9-10-25(21-23-16-7-6-15(22)12-19(16)29-21)20(26)14-5-8-17-18(11-14)28-13-27-17;/h5-8,11-12H,3-4,9-10,13H2,1-2H3;1H