N-[3-(diethylaminomethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(diethylaminomethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(diethylaminomethyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[3-(diethylaminomethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(diethylaminomethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(diethylaminomethyl)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-3-22(4-2)13-14-6-5-7-16(10-14)21-20(24)19-12-15-11-17(23(25)26)8-9-18(15)27-19/h5-12H,3-4,13H2,1-2H3,(H,21,24)