N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-morpholino-5-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C#N

InChI

InChI=1S/C20H20N4O4S/c21-12-16-14-3-1-2-4-18(14)29-20(16)22-19(25)15-11-13(24(26)27)5-6-17(15)23-7-9-28-10-8-23/h5-6,11H,1-4,7-10H2,(H,22,25)