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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-12-9-15-18(10-13(12)2)29-20(21-15)22-19(25)14-3-4-16(17(11-14)24(26)27)23-5-7-28-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,25)