N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-morpholino-3-nitro-benzamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C19H24N4O4S/c1-21(2)17(18-4-3-11-28-18)13-20-19(24)14-5-6-15(16(12-14)23(25)26)22-7-9-27-10-8-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,20,24)