N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-morpholinocyclohexyl)methyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H25N3O4S/c24-19(18-13-15-12-16(23(25)26)4-5-17(15)28-18)21-14-20(6-2-1-3-7-20)22-8-10-27-11-9-22/h4-5,12-13H,1-3,6-11,14H2,(H,21,24)