2-chloranyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-5-nitro-benzamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C23H25ClN4O4S/c1-15-4-7-20-21(16(15)2)25-23(33-20)27(9-3-8-26-10-12-32-13-11-26)22(29)18-14-17(28(30)31)5-6-19(18)24/h4-7,14H,3,8-13H2,1-2H3