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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

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