6-(2-methylbutan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-(2-methylbutan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-(2-methylbutan-2-yl)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-(2-methylbutan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-[[(E)-3-phenylacryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2S/c1-4-23(2,3)16-11-12-17-18(14-16)28-22(20(17)21(24)27)25-19(26)13-10-15-8-6-5-7-9-15/h5-10,13,16H,4,11-12,14H2,1-3H3,(H2,24,27)(H,25,26)/b13-10+