5-nitro-N-(2-pyrrolidin-1-ylbutyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-(2-pyrrolidin-1-ylbutyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-(2-pyrrolidin-1-ylbutyl)benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[2-(1-pyrrolidinyl)butyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-(2-pyrrolidin-1-ylbutyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-(2-pyrrolidinobutyl)benzothiophene-2-carboxamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C17H21N3O3S/c1-2-13(19-7-3-4-8-19)11-18-17(21)16-10-12-9-14(20(22)23)5-6-15(12)24-16/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,18,21)