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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pentoxy-benzamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pentoxy-benzamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pentoxybenzamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pentoxybenzamide Traditional Name: 3-amoxy-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C25H32N2O2S MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

InChI

InChI=1S/C25H32N2O2S/c1-5-6-7-13-29-19-10-8-9-17(14-19)23(28)27-24-21(16-26)20-12-11-18(25(2,3)4)15-22(20)30-24/h8-10,14,18H,5-7,11-13,15H2,1-4H3,(H,27,28)