N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholino-5-nitro-benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholino-5-nitro-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C

InChI

InChI=1S/C18H18N4O4S/c1-11-12(2)27-18(15(11)10-19)20-17(23)14-9-13(22(24)25)3-4-16(14)21-5-7-26-8-6-21/h3-4,9H,5-8H2,1-2H3,(H,20,23)