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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C19H18N4O5S MolecularWeight: 414.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-27-13-3-4-14-17(11-13)29-19(20-14)21-18(24)12-2-5-15(16(10-12)23(25)26)22-6-8-28-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,20,21,24)