2-chloranyl-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide Formula: C21H20ClFN4O4S MolecularWeight: 478.924303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClFN4O4S/c22-16-6-5-14(27(29)30)13-15(16)20(28)26(8-2-7-25-9-11-31-12-10-25)21-24-19-17(23)3-1-4-18(19)32-21/h1,3-6,13H,2,7-12H2