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

Systemtic Name: 6-(2-methylbutan-2-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-(2-methylbutan-2-yl)-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-(2-methylbutan-2-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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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=CS3

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H26N2O2S2/c1-4-21(2,3)13-7-9-15-16(12-13)27-20(18(15)19(22)25)23-17(24)10-8-14-6-5-11-26-14/h5-6,8,10-11,13H,4,7,9,12H2,1-3H3,(H2,22,25)(H,23,24)/b10-8+