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

Systemtic Name: 2-(2-methoxyethylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitro-benzamide Openeye Name: 2-(2-methoxyethylamino)-N-(2-morpholino-1,3-benzothiazol-6-yl)-5-nitro-benzamide CAS Name: 2-(2-methoxyethylamino)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-5-nitrobenzamide IUPAC Name: 2-(2-methoxyethylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitrobenzamide Traditional Name: 2-(2-methoxyethylamino)-N-(2-morpholino-1,3-benzothiazol-6-yl)-5-nitro-benzamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C21H23N5O5S/c1-30-9-6-22-17-5-3-15(26(28)29)13-16(17)20(27)23-14-2-4-18-19(12-14)32-21(24-18)25-7-10-31-11-8-25/h2-5,12-13,22H,6-11H2,1H3,(H,23,27)