N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-2,4-diethoxy-benzamide

Systemtic Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-2,4-diethoxy-benzamide Openeye Name: N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]-2,4-diethoxy-benzamide CAS Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]-2-thiophenyl]-2,4-diethoxybenzamide IUPAC Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-2,4-diethoxybenzamide Traditional Name: N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]-2,4-diethoxy-benzamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC(C)C)C#N)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC(C)C)C#N)OCC

InChI

InChI=1S/C26H28N2O3S/c1-5-30-20-11-12-21(24(14-20)31-6-2)25(29)28-26-22(15-27)23(16-32-26)19-9-7-18(8-10-19)13-17(3)4/h7-12,14,16-17H,5-6,13H2,1-4H3,(H,28,29)