N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-9H-xanthene-9-carboxamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-9H-xanthene-9-carboxamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H28N2O2S/c1-4-28(2,3)17-13-14-18-21(16-29)27(33-24(18)15-17)30-26(31)25-19-9-5-7-11-22(19)32-23-12-8-6-10-20(23)25/h5-12,17,25H,4,13-15H2,1-3H3,(H,30,31)