N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-piperonylamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22FN3O4S/c23-16-3-1-4-19-20(16)24-22(31-19)26(8-2-7-25-9-11-28-12-10-25)21(27)15-5-6-17-18(13-15)30-14-29-17/h1,3-6,13H,2,7-12,14H2