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

Systemtic Name: N-methyl-5-nitro-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-methyl-5-nitro-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzothiophene-2-carboxamide CAS Name: N-methyl-5-nitro-N-[[2-(1-pyrrolidinyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-methyl-5-nitro-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-methyl-5-nitro-N-(2-pyrrolidinobenzyl)benzothiophene-2-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-22(14-15-6-2-3-7-18(15)23-10-4-5-11-23)21(25)20-13-16-12-17(24(26)27)8-9-19(16)28-20/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3