N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]benzothiophene-2-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(3-cyano-4-neopentyloxy-phenyl)benzothiophene-2-carboxamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C21H20N2O2S/c1-21(2,3)13-25-17-9-8-16(10-15(17)12-22)23-20(24)19-11-14-6-4-5-7-18(14)26-19/h4-11H,13H2,1-3H3,(H,23,24)