1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(4-fluoroanilino)-2-keto-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H20FN5O4S MolecularWeight: 457.478003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN5O4S/c22-14-1-3-15(4-2-14)23-19(28)12-26-9-7-13(8-10-26)20(29)25-21-24-17-6-5-16(27(30)31)11-18(17)32-21/h1-6,11,13H,7-10,12H2,(H,23,28)(H,24,25,29)