N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N3O4S/c1-22(2)17(13-5-4-6-16(10-13)27-3)12-21-20(24)19-11-14-9-15(23(25)26)7-8-18(14)28-19/h4-11,17H,12H2,1-3H3,(H,21,24)