N-(2-methyl-2-morpholin-4-yl-propyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-yl-propyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2-methyl-2-morpholino-propyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-methyl-2-morpholino-propyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H21N3O4S/c1-17(2,19-5-7-24-8-6-19)11-18-16(21)15-10-12-9-13(20(22)23)3-4-14(12)25-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,21)