3-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-benzamide Openeye Name: 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethoxy-benzamide CAS Name: 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide IUPAC Name: 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide Traditional Name: 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethoxy-benzamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)Br

InChI

InChI=1S/C22H25BrN2O2S/c1-5-27-18-9-6-13(10-17(18)23)20(26)25-21-16(12-24)15-8-7-14(22(2,3)4)11-19(15)28-21/h6,9-10,14H,5,7-8,11H2,1-4H3,(H,25,26)