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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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