N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21FN4O3S/c1-3-23(4-2)12-13-24(19(26)14-8-5-6-10-16(14)25(27)28)20-22-18-15(21)9-7-11-17(18)29-20/h5-11H,3-4,12-13H2,1-2H3