N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C23H27N5O4S MolecularWeight: 469.55658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C23H27N5O4S/c1-4-7-27-15(2)12-18(16(27)3)20-14-33-23(24-20)25-22(29)19-13-17(28(30)31)5-6-21(19)26-8-10-32-11-9-26/h5-6,12-14H,4,7-11H2,1-3H3,(H,24,25,29)