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

Systemtic Name: 2-(diethylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitro-benzamide Openeye Name: 2-(diethylamino)-N-(2-morpholino-1,3-benzothiazol-6-yl)-5-nitro-benzamide CAS Name: 2-(diethylamino)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-5-nitrobenzamide IUPAC Name: 2-(diethylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitrobenzamide Traditional Name: 2-(diethylamino)-N-(2-morpholino-1,3-benzothiazol-6-yl)-5-nitro-benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C22H25N5O4S/c1-3-25(4-2)19-8-6-16(27(29)30)14-17(19)21(28)23-15-5-7-18-20(13-15)32-22(24-18)26-9-11-31-12-10-26/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,28)