N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

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