N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-veratryl-benzothiophene-2-carboxamide Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N2O5S/c1-24-14-5-3-11(7-15(14)25-2)10-19-18(21)17-9-12-8-13(20(22)23)4-6-16(12)26-17/h3-9H,10H2,1-2H3,(H,19,21)