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

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-2-morpholino-5-nitro-benzamide Formula: C24H19ClN4O4S MolecularWeight: 494.95006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN4O4S/c25-18-7-5-15(24-27-19-3-1-2-4-22(19)34-24)13-20(18)26-23(30)17-14-16(29(31)32)6-8-21(17)28-9-11-33-12-10-28/h1-8,13-14H,9-12H2,(H,26,30)