2-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-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(S2)C=C(C=C3)F)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClFN4O4S/c22-17-4-3-15(27(29)30)13-16(17)20(28)26(7-1-6-25-8-10-31-11-9-25)21-24-18-5-2-14(23)12-19(18)32-21/h2-5,12-13H,1,6-11H2