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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-morpholino-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-12-20-15-4-3-14(11-18(15)28-12)21-19(24)13-2-5-16(17(10-13)23(25)26)22-6-8-27-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,24)