N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-4-nitro-benzamide

Systemtic Name: N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoranyl-4-nitro-benzamide Openeye Name: N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoro-4-nitro-benzamide CAS Name: N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-fluoro-4-nitrobenzamide IUPAC Name: N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-fluoro-4-nitrobenzamide Traditional Name: N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-fluoro-4-nitro-benzamide Formula: C20H19FN4O4S2 MolecularWeight: 462.517663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H19FN4O4S2/c1-3-24(4-2)18(26)11-30-20-23-16-8-5-12(9-17(16)31-20)22-19(27)14-7-6-13(25(28)29)10-15(14)21/h5-10H,3-4,11H2,1-2H3,(H,22,27)