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

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]undecanamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]undecanamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]undecanamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]undecanamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)undecanamide Formula: C25H40N2OS MolecularWeight: 416.6629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2OS/c1-5-7-8-9-10-11-12-13-14-23(28)27-24-21(18-26)20-16-15-19(17-22(20)29-24)25(3,4)6-2/h19H,5-17H2,1-4H3,(H,27,28)