N'-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: N'-[2-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)ethanoyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: N'-[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: N'-[2-(2-bromo-4-cyano-6-ethoxyphenoxy)-1-oxoethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: N'-[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: N'-[2-(2-bromo-4-cyano-6-ethoxy-phenoxy)acetyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NNC(=O)C2=CC3=C(S2)CCC(C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NNC(=O)C2=CC3=C(S2)CCC(C3)C

InChI

InChI=1S/C21H22BrN3O4S/c1-3-28-16-8-13(10-23)7-15(22)20(16)29-11-19(26)24-25-21(27)18-9-14-6-12(2)4-5-17(14)30-18/h7-9,12H,3-6,11H2,1-2H3,(H,24,26)(H,25,27)