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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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