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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O4S/c1-15-18(23)6-7-19-20(15)24-22(32-19)26(9-3-8-25-10-12-31-13-11-25)21(28)16-4-2-5-17(14-16)27(29)30/h2,4-7,14H,3,8-13H2,1H3