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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-morpholino-3-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=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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