5-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-(4-pyrrolidinobenzyl)benzothiophene-2-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c24-20(19-12-15-11-17(23(25)26)7-8-18(15)27-19)21-13-14-3-5-16(6-4-14)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10,13H2,(H,21,24)