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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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