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

Systemtic Name: 2-chloranyl-N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide Formula: C21H20Cl2N4O4S MolecularWeight: 495.3789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N4O4S/c22-14-2-5-18-19(12-14)32-21(24-18)26(7-1-6-25-8-10-31-11-9-25)20(28)16-13-15(27(29)30)3-4-17(16)23/h2-5,12-13H,1,6-11H2