N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-piperonylamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H20N4O3S/c1-14-11-15(2)26(24-14)10-9-25(22-23-17-5-3-4-6-20(17)30-22)21(27)16-7-8-18-19(12-16)29-13-28-18/h3-8,11-12H,9-10,13H2,1-2H3