N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-piperonylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H23N3O3S/c1-13-5-8-18-19(14(13)2)22-21(28-18)24(10-9-23(3)4)20(25)15-6-7-16-17(11-15)27-12-26-16/h5-8,11H,9-10,12H2,1-4H3