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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H20N4O4S/c29-23(19-15-18(28(30)31)8-9-21(19)27-10-12-32-13-11-27)25-17-5-3-4-16(14-17)24-26-20-6-1-2-7-22(20)33-24/h1-9,14-15H,10-13H2,(H,25,29)