N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]dodecanamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]dodecanamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]dodecanamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]dodecanamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]dodecanamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)lauramide Formula: C26H42N2OS MolecularWeight: 430.68948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C#N

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C#N

InChI

InChI=1S/C26H42N2OS/c1-5-7-8-9-10-11-12-13-14-15-24(29)28-25-22(19-27)21-17-16-20(18-23(21)30-25)26(3,4)6-2/h20H,5-18H2,1-4H3,(H,28,29)