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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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