N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-cyclopropyl-N-[4-(methylcarbamoyl)benzyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-22-20(25)14-4-2-13(3-5-14)12-23(16-6-7-16)21(26)19-11-15-10-17(24(27)28)8-9-18(15)29-19/h2-5,8-11,16H,6-7,12H2,1H3,(H,22,25)