N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]thiazol-2-yl]-4-fluoro-benzamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-thiazolyl]-4-fluorobenzamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[4-[2-keto-2-(piperonylamino)ethyl]thiazol-2-yl]benzamide Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H16FN3O4S/c21-14-4-2-13(3-5-14)19(26)24-20-23-15(10-29-20)8-18(25)22-9-12-1-6-16-17(7-12)28-11-27-16/h1-7,10H,8-9,11H2,(H,22,25)(H,23,24,26)