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

Systemtic Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-1,3-thiazol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]thiazol-2-yl]-4-fluoro-benzamide CAS Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2-thiazolyl]-4-fluorobenzamide IUPAC Name: N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[4-[3-keto-3-(piperonylamino)propyl]thiazol-2-yl]benzamide Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O4S/c22-15-4-2-14(3-5-15)20(27)25-21-24-16(11-30-21)6-8-19(26)23-10-13-1-7-17-18(9-13)29-12-28-17/h1-5,7,9,11H,6,8,10,12H2,(H,23,26)(H,24,25,27)