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

Systemtic Name: 2-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O4S/c1-15-3-6-19-20(13-15)32-22(24-19)26(8-2-7-25-9-11-31-12-10-25)21(28)17-14-16(27(29)30)4-5-18(17)23/h3-6,13-14H,2,7-12H2,1H3