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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-morpholino-5-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C25H22N4O4S/c1-16-14-17(25-27-21-4-2-3-5-23(21)34-25)6-8-20(16)26-24(30)19-15-18(29(31)32)7-9-22(19)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3,(H,26,30)